AG001LCC

149-16-6 | 1-Propanol, 3-(dibutylamino)-, 1-(4-aminobenzoate)

AG001LCC

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CAS Number	149-16-6
Catalog Number	AG001LCC(AGN-PC-0Q2Y5Z)
Chemical Name	1-Propanol, 3-(dibutylamino)-, 1-(4-aminobenzoate)
EC Number	205-734-7
IUPAC Name	3-(dibutylamino)propyl 4-aminobenzoate
InChI	InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
InChI Key	HQFWVSGBVLEQGA-UHFFFAOYSA-N
MDL Number	MFCD00056117
Molecular Formula	C18H30N2O2
Molecular Weight	306.4430
NSC Number	758632
SMILES	C(OC(=O)C1=CC=C(N)C=C1)CCN(CCCC)CCCC
UNII	Z84S23CGJJ
Synonyms	3-(dibutylamino)propyl 4-aminobenzoate, butacaine, butacaine sulfate, Butaprobenz, butocain, butacaine, 149-16-6, 1-Propanol, 3-(dibutylamino)-, 4-aminobenzoate (ester), Butacaine [INN:BAN], p-Aminobenzoyldibutylaminopropanol, Butacainum [INN-Latin], Butacaina [INN-Spanish], UNII-Z84S23CGJJ, 3-Dibutylaminopropyl p-aminobenzoate, 3-(Dibutylamino)propyl 4-aminobenzoate, Butacaine sulphate, 3-(Dibutylamino)-1-propanol p-aminobenzoate, C18H30N2O2, 3-(p-Aminobenzoxy)-1-di-n-butylaminopropane, EINECS 205-734-7, BRN 2135378, Z84S23CGJJ, MLS000028619, NCGC00016411-01, CAS-149-16-6, SMR000058686, 1-PROPANOL, 3-(DIBUTYLAMINO)-, p-AMINOBENZOATE (ESTER), DSSTox_CID_25300, DSSTox_RID_80789, DSSTox_GSID_45300, Butacainum, Butacaina, SR-01000003139, Prestwick_984, Spectrum_001562, AC1L1DRW, AC1Q2WTH, Opera_ID_1473, Prestwick0_000831, Prestwick1_000831, Prestwick2_000831, Prestwick3_000831, Spectrum2_001593, Spectrum3_001943, Spectrum4_000219, Spectrum5_001565, SCHEMBL26156, BSPBio_000781, BSPBio_003543, KBioGR_000857, KBioSS_002042, DivK1c_000864, SPECTRUM1503914, SPBio_001586, SPBio_002702, BPBio1_000861, CHEMBL129529, DTXSID3045300, CHEBI:94820, CTK8F8367, HMS502L06, KBio1_000864, KBio2_002042, KBio2_004610, KBio2_007178, KBio3_002827, HQFWVSGBVLEQGA-UHFFFAOYSA-N, NINDS_000864, HMS1570H03, HMS1922K10, HMS2093K17, HMS2097H03, HMS2230J20, HMS3371O14, HMS3714H03, Pharmakon1600-01503914, HY-B1007, ZINC1596184, Tox21_110428, 2290AH, BDBM50225491, CCG-39371, NSC758632, AKOS024374899, Tox21_110428_1, API0015124, CS-4504, MCULE-4554935124, NSC-758632, IDI1_000864, NCGC00016411-02, NCGC00016411-03, NCGC00016411-04, NCGC00016411-05, NCGC00016411-06, NCGC00016411-07, NCGC00016411-10, NCGC00023714-03, NCGC00023714-04, NCGC00023714-05, 3-(Dibutylamino)propyl 4-aminobenzoate #, AN-23299, (3-di-N-Butylaminopropyl)-p-aminobenzoate, SBI-0051856.P002, LS-122041, AB00052382, ST51014906, SW197068-3, 1-Propanol, 3-(dibutylamino)-, 4-aminobenzoate, 1-Propanol, 3-(dibutylamino)-, p-aminobenzoate, 4-aminobenzoic acid 3-(dibutylamino)propyl ester, AB00052382_15, AB00052382_16, J-008557, J-008559, SR-01000003139-2, SR-01000003139-3, 1-Propanol, 3-(dibutylamino)-, 1-(4-aminobenzoate), BRD-K99622919-001-05-7, BRD-K99622919-001-15-6, Butelline, Butyn, butocain, Butaprobenz, Butyn Sulfate, Butacaine sulfate, D06ORU, CID2480, C18-H30-N2-O2, 4-14-00-01142 (Beilstein Handbook Reference), 3-(Dibutylamino)-1-propanol 1-(4-aminobenzoate), C073325, 149-15-5,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.231g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	306.45g/mol
Monoisotopic Mass	306.231g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 3249

Certificate of Analysis

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