AG003LTN

57802-79-6 | 4-(n-Butyl)benzylamine

AG003LTN

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CAS Number	57802-79-6
Catalog Number	AG003LTN(AGN-PC-0L43MZ)
Chemical Name	4-(n-Butyl)benzylamine
IUPAC Name	(4-butylphenyl)methanamine
InChI	InChI=1S/C11H17N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4,9,12H2,1H3
InChI Key	IBVGSPOHLFKLHM-UHFFFAOYSA-N
MDL Number	MFCD02258855
Molecular Formula	C11H17N
Molecular Weight	163.2594
SMILES	NCC1=CC=C(CCCC)C=C1
Synonyms	4-butylbenzylamine, 57802-79-6, (4-butylphenyl)methanamine, 4-N-BUTYLBENZYLAMINE, 4-(n-Butyl)benzylamine, MFCD02258855, (4-butylphenyl)methylamine, p-n-Butylbenzylamin, 4-butyl-benzylamine, 4-Butylbenzenemethanamine, AC1N1G9N, 4-n-Butylbenzylamine, 98%, Benzenemethanamine, 4-butyl-, SCHEMBL394855, CHEMBL214938, CTK8E4926, DTXSID20398638, 4-N-Butylbenzylamine, AldrichCPR, IBVGSPOHLFKLHM-UHFFFAOYSA-N, ZINC2579272, 5959AE, SBB059362, AKOS009158069, MCULE-3819420039, BBV-38424759, TR-020155, FT-0640485, ST50407292, C-04373, I01-13411, C11H17N, CID4029871,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.136g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.264g/mol
Monoisotopic Mass	163.136g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P260-P301+P330+P331-P405-P305+P351+P338-P303+P361+P353
Signal Words	danger
UN Code	UN 2735

Certificate of Analysis

Lot Number