AG002XG2

29134-29-0 | 2-(Pyrrolidin-1-yl)acetonitrile

AG002XG2

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CAS Number	29134-29-0
Catalog Number	AG002XG2(AGN-PC-0JM174)
Chemical Name	2-(Pyrrolidin-1-yl)acetonitrile
EC Number	249-463-2
IUPAC Name	2-pyrrolidin-1-ylacetonitrile
InChI	InChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-6H2
InChI Key	NPRYXVXVLCYBNS-UHFFFAOYSA-N
MDL Number	MFCD00014098
Molecular Formula	C6H10N2
Molecular Weight	110.1570
NSC Number	26714
SMILES	N#CCN1CCCC1
UNII	6P9EEL10K2
Synonyms	29134-29-0, 1-Pyrrolidineacetonitrile, 2-(pyrrolidin-1-yl)acetonitrile, (1-Pyrrolidino)Acetonitrile, 1-Cyanomethylpyrrolidine, Pyrrolidine-1-acetonitrile, pyrrolidin-1-ylacetonitrile, Pyrrolidinoacetonitrile, N-Pyrrolidinoacetonitrile, UNII-6P9EEL10K2, EINECS 249-463-2, NSC 26714, PYRROLDINOACETONITRILE, BRN 0106157, 2-pyrrolidin-1-ylacetonitrile, AI3-23764, 6P9EEL10K2, MFCD00014098, 2-pyrrolidinylethanenitrile, NSC26714, AC1L3TXO, AC1Q4SIA, 1-Pyrrolidinylacetonitrile, AC1Q4SI9, N-(cyanomethyl) pyrrolidine, SCHEMBL64890, 5-20-01-00344 (Beilstein Handbook Reference), CTK1A5489, KS-00000EHW, DTXSID20183389, NPRYXVXVLCYBNS-UHFFFAOYSA-N, ALBB-004594, BBL003959, NSC-26714, SBB047434, STK503241, ZINC19488582, AKOS000186804, MCULE-9606685840, PS-5763, TRA0055827, AJ-73738, AK116272, SC-68917, SY017301, AB0061643, LS-137151, TR-012735, BB 0256008, FT-0604525, ST50409415, EN300-43581, K-7142, MFCD00014098 (97+%), I14-30146, Z168893456, CID95270, C6-H10-N2, CJ-16169, 1-Pyrrolidineacetonitrile, 97% - 1G 1g,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	110.084g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	110.16g/mol
Monoisotopic Mass	110.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3276

Certificate of Analysis

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