AG000ZUB

131852-54-5 | 3-Pyrrolidinamine, 1-(phenylmethyl)-, hydrochloride (1:2), (3S)-

AG000ZUB

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CAS Number	131852-54-5
Catalog Number	AG000ZUB(AGN-PC-0PJLSA)
Chemical Name	3-Pyrrolidinamine, 1-(phenylmethyl)-, hydrochloride (1:2), (3S)-
IUPAC Name	(3S)-1-benzylpyrrolidin-3-amine;dihydrochloride
InChI	InChI=1S/C11H16N2.2ClH/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10;;/h1-5,11H,6-9,12H2;2*1H/t11-;;/m0../s1
InChI Key	NBBRIIZFMWSCHJ-IDMXKUIJSA-N
MDL Number	MFCD06658153
Molecular Formula	C11H18Cl2N2
Molecular Weight	249.1800
SMILES	N[C@@H]1CN(CC2=CC=CC=C2)CC1.[H]Cl.[H]Cl
Synonyms	131852-54-5, (S)-1-benzylpyrrolidin-3-amine dihydrochloride, (S)-3-amino-1-benzylpyrrolidine dihydrochloride, (S)-1-Benzyl-3-Amino-Pyrrolidine-dihydrochloride, (S)-3-AMINO-1-N-BENZYL-PYRROLIDINE 2HCL, AK-57724, PubChem6382, (S)-3-Amino-1-benzylpyrrolidinedihydrochloride, CTK8C1366, DTXSID10659609, KS-00000N8F, ANW-66362, CB-575, MFCD06658153, AKOS015995189, R52A545, RP28846, VP60187, (3S)-1-Benzylpyrrolidin-3-amine DiHCl, BC202167, CC-01365, DS-15656, AX8007847, TC-155107, FT-0643984, (3S)-1-benzylpyrrolidin-3-amine dihydrochloride, (S)-1-Benzyl-3-aminopyrrolidine dihydrochloride, (S)-3-Amino-1-N-benzylpyrrolidine dihydrochloride, C-15290, I14-3730, (3S)-1-Benzylpyrrolidin-3-amine--hydrogen chloride (1/2), 3-Pyrrolidinamine, 1-(phenylmethyl)-, hydrochloride (1:2), (3S)-, CB11120, (S)-(+)-1-Benzyl-3-aminopyrrolidine, (S)-1-Benzyl-pyrrolidine-3-amine dihydrochloride, 114715-38-7,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	248.085g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	249.179g/mol
Monoisotopic Mass	248.085g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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