AG000FWN

1153950-49-2 | 3-Pyrrolidinecarbonitrile, hydrochloride (1:1), (3S)-

AG000FWN

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CAS Number	1153950-49-2
Catalog Number	AG000FWN(AGN-PC-0WA31Q)
Chemical Name	3-Pyrrolidinecarbonitrile, hydrochloride (1:1), (3S)-
IUPAC Name	(3S)-pyrrolidine-3-carbonitrile;hydrochloride
InChI	InChI=1S/C5H8N2.ClH/c6-3-5-1-2-7-4-5;/h5,7H,1-2,4H2;1H/t5-;/m1./s1
InChI Key	LMBZZTJQNYGICT-NUBCRITNSA-N
MDL Number	MFCD11656840
Molecular Formula	C5H9ClN2
Molecular Weight	132.5914
SMILES	N#C[C@@H]1CNCC1.[H]Cl
Synonyms	1153950-49-2, (S)-PYRROLIDINE-3-CARBONITRILE HYDROCHLORIDE, (3S)-pyrrolidine-3-carbonitrile hydrochloride, (S)-3-Cyanopyrrolidine HCl, (S)-PYRROLIDINE-3-CARBONITRILE HCL, AK171889, (R)-3-CYANOPYRROLIDINE HYDROCHLORIDE, (S)-3-CYANOPYRROLIDINE HYDROCHLORIDE, SCHEMBL222471, DTXSID00655099, KS-000008FU, MFCD11656840, AKOS025291320, DS-7662, PB10931, AB0080573, AM20080099, CS-0053245, C-8620, C90004, (S)-3-Cyanopyrrolidine hydrochloride, AldrichCPR, 3-Pyrrolidinecarbonitrile, hydrochloride (1:1),(3S), 3-Pyrrolidinecarbonitrile, hydrochloride (1:1), (3S)-, (3S)-Pyrrolidine-3-carbonitrile--hydrogen chloride (1/1), cc-471, (3R)-pyrrolidine-3-carbonitrile hydrochloride, PYRROLIDINE-3-CARBONITRILE HYDROCHLORIDE, 1153950-54-9, 1187930-86-4,

Complexity	99.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	132.045g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	132.591g/mol
Monoisotopic Mass	132.045g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
Signal Words	danger
UN Code	UN 2811

Certificate of Analysis

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