Compound: Butyl 4-aminobenzoate
SMILES: O=C(OCCCC)c1ccc(N)cc1
InChIKey: IUWVALYLNVXWKX-UHFFFAOYSA-N
Synonyms: Butyl 4-aminobenzoate, butamben, 94-25-7, Butoform, Butyl aminobenzoate, Butesine, Butylcaine, Planoform, Scuroform, Scuroforme, 4-(Butoxycarbonyl)aniline, Butyl keloform, Benzoic acid, 4-amino-, butyl ester, N-Butyl p-aminobenzoate, p-Aminobenzoic acid butyl ester, 4-Aminobenzoic acid butyl ester, Butyl PABA, NSC-128464, DTXSID7022417, EFW857872Q, ABBOTT-34842 FREE BASE, CHEBI:3231, DTXCID102417, butanylcaine, RefChem:570557, 202-317-1, Butesin, BUTYL P-AMINOBENZOATE, 4-Aminobenzoic Acid n-Butyl Ester, Benzoic acid, p-amino-, butyl ester, MFCD00017112, Butoforme, NSC 128464, 4-amino butylbenzoate, p-Aminobenzoic acid, butyl ester, Butylester kyseliny p-aminobenzoove, MLS000028721, NSC128464, CAS-94-25-7, NCGC00016353-03, SMR000059139, Butamben [USAN], Butyl 4-?Aminobenzoate(Butamben), Butsein, n-Butyl-p-aminobenzoate, CCRIS 5891, HSDB 4245, Butamben [USAN:USP], SR-01000721933, EINECS 202-317-1, 4-Aminobenzoic acid butyl, BRN 1211465, UNII-EFW857872Q, AI3-02284, Butylester kyseliny p-aminobenzoove [Czech], Butamben (USP), Prestwick_994, Butesin (TN), Butamben (Standard), butyl -4-aminobenzoate, Spectrum_000025, Tetracaine Impurity N3, BUTAMBEN [HSDB], n-butyl 4-aminobenzoate, Opera_ID_633, SpecPlus_000829, BUTAMBEN [MI], BUTAMBEN [VANDF], Prestwick0_000761, Prestwick1_000761, Prestwick2_000761, Prestwick3_000761, Spectrum2_000850, Spectrum3_001848, Spectrum4_000832, Spectrum5_001496, BUTAMBEN [USP-RS], WLN: ZR DVO4, aniline, 4-butoxycarbonyl-, SCHEMBL81735, BSPBio_000802, BSPBio_003236, KBioGR_001403, KBioSS_000385, MLS002303044, BIDD:ER0674, DivK1c_000838, DivK1c_006925, SPECTRUM1500767, SPBio_000839, SPBio_002741, BPBio1_000884, CHEMBL127516, orb1310172, SCHEMBL8393239, BUTAMBEN [USP MONOGRAPH], HMS502J20, HY-B1430R, KBio1_000838, KBio1_001869, KBio2_000385, KBio2_002953, KBio2_005521, KBio3_002736, NINDS_000838, p-Aminobenzoic acid n-butyl ester, HMS1570I04, HMS1921G20, HMS2092K06, HMS2097I04, HMS2234M07, HMS3372C17, HMS3714I04, HMS3885N08, HMS5083L15, Pharmakon1600-01500767, BUTYL AMINOBENZOATE [MART.], HY-B1430, Tox21_110392, Tox21_200378, BUTYL AMINOBENZOATE [WHO-DD], CCG-40317, EBC-13392, NSC757433, s4583, SBB007542, STL169355, AKOS000119787, Tox21_110392_1, CS-4822, DB11148, FA45227, NSC-757433, IDI1_000838, NCGC00016353-01, NCGC00016353-02, NCGC00016353-04, NCGC00016353-05, NCGC00016353-06, NCGC00016353-08, NCGC00091154-01, NCGC00091154-02, NCGC00091154-03, NCGC00091154-04, NCGC00257932-01, AC-13349, DS-13802, ST059627, SY051932, SBI-0051887.P002, DB-029553, A0270, AB00052407, NS00004238, EN300-17938, C07875, D00730, W16695, AB00052407_12, AE-641/05573061, F221937, Q5002348, SR-01000721933-2, SR-01000721933-3, BRD-K27217864-001-04-1, BRD-K27217864-001-05-8, BRD-K27217864-001-15-7, BRD-K27217864-001-22-3, Z57126994, F2190-0449, Butamben, United States Pharmacopeia (USP) Reference Standard
Theoretical properties:
molecular_formula: C11H15NO2
molecular_weight: 193.24 g/mol
exact_mass: 193.110278721 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 5
heavy_atom_count: 14
topological_polar_surface_area: 52.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals from alc
color: Crystals from alc
odor: Odorless
boiling_point: 343 to 345 °F at 8 mmHg (NTP, 1992)
melting_point: 136 °F (NTP, 1992)
solubility: Insoluble (NTP, 1992)
vapor_pressure: 0.000299 [mmHg]
Descriptions:
pubchem: Butamben is an amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders. It has a role as a local anaesthetic. It is a benzoate ester, an amino-acid ester, a substituted aniline and a primary amino compound. It is functionally related to a butan-1-ol and a 4-aminobenzoic acid. It is a conjugate base of a butamben(1+).
chebi: An amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders.
chembl: BUTAMBEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Butamben is a local anesthetic.  Proprietary names includes Alvogil in Spain and Alvogyl in Switzerland. It is one of three components in the topical anesthetic Cetacaine.