AG00GVH2

91271-78-2 | 3-Pyrrolidin-1-ylmethyl-benzylamine

AG00GVH2

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CAS Number	91271-78-2
Catalog Number	AG00GVH2(AGN-PC-0LFXJF)
Chemical Name	3-Pyrrolidin-1-ylmethyl-benzylamine
IUPAC Name	[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine
InChI	InChI=1S/C12H18N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,13H2
InChI Key	RTUWXPVILJUANC-UHFFFAOYSA-N
MDL Number	MFCD06408780
Molecular Formula	C12H18N2
Molecular Weight	190.2847
SMILES	NCC1=CC=CC(CN2CCCC2)=C1
Synonyms	91271-78-2, 3-Pyrrolidin-1-ylmethyl-benzylamine, (3-(Pyrrolidin-1-ylmethyl)phenyl)methanamine, [3-(1-pyrrolidinylmethyl)phenyl]methanamine, 3-Pyrrolidin-1-ylmethylbenzylamine, [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine, 1-[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine, CHEMBL3781266, 3-[(1-Pyrrolidinyl)methyl]benzylamine, [3-(pyrrolidinylmethyl)phenyl]methylamine, AC1NFQRJ, BAS 10150483, AC1Q53UV, SCHEMBL110832, CTK7E5380, DTXSID60405719, RTUWXPVILJUANC-UHFFFAOYSA-N, CS-D1238, ZINC6677785, 2938AF, BDBM50158373, MFCD06408780, SBB010843, AKOS000145587, MCULE-3405235092, AJ-56621, AS-38264, DB-078972, TR-044933, FT-0690542, ST50321172, 3-(1-pyrrolidinylmethyl)phenyl]methanamine-7, Benzenemethanamine, 3-(1-pyrrolidinylmethyl)-, EN300-35556, 1-[3-(1-Pyrrolidinylmethyl)phenyl]methanamine, Y-2236, 3-pyrrolidin-1-ylmethyl-benzylamine, AldrichCPR, 1-{3-[(Pyrrolidin-1-yl)methyl]phenyl}methanamine, I14-58358, 1-[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine(saltdata: free), C12H18N2, ACN-054133, CID4712478,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.147g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.29g/mol
Monoisotopic Mass	190.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302+H312+H332-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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