AG007W0V

10603-52-8 | 1-benzylpyrrolidine-3-carbonitrile

AG007W0V

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CAS Number	10603-52-8
Catalog Number	AG007W0V(AGN-PC-0K6AMH)
Chemical Name	1-benzylpyrrolidine-3-carbonitrile
IUPAC Name	1-benzylpyrrolidine-3-carbonitrile
InChI	InChI=1S/C12H14N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
InChI Key	RYCQUUNQHVAFSM-UHFFFAOYSA-N
MDL Number	MFCD05662780
Molecular Formula	C12H14N2
Molecular Weight	186.2530
SMILES	N#CC1CCN(CC2=CC=CC=C2)C1
Synonyms	1-benzylpyrrolidine-3-carbonitrile, 10603-52-8, 1-Benzyl-pyrrolidine-3-carbonitrile, 1-benzyl-3-cyano-pyrrolidine, 1-Benzyl-3-cyanopyrrolidine, 3-pyrrolidinecarbonitrile, 1-(phenylmethyl)-, (S)-1-BENZYLPYRROLIDINE-3-CARBONITRILE, AC1NGGLE, PubChem16537, (R)-1-BENZYL-PYRROLIDINE-3-CARBONITRILE, AC1Q4RIF, AC1Q4RIG, ACMC-2098ic, ACMC-209dg3, SCHEMBL607250, CTK4A4293, DTXSID60405451, RYCQUUNQHVAFSM-UHFFFAOYSA-N, 1-benzyl-3-pyrrolidinecarbonitrile, 1333AA, 1334AA, ANW-15298, MFCD05662780, RW3842, AKOS009459637, CB-2647, MCULE-4386183122, QC-3216, (r,s)-1-benzylpyrrolidine-3-carbonitrile, AS-36343, SC-14583, SY011027, AB0061521, TR-001221, 3-Pyrrolidinecarbonitrile,1-(phenylmethyl)-, FT-0653307, ST24033281, MFCD05662780 (95%), A-4351, B64022, 1-Benzyl-pyrrolidine-3-carbonitrile, AldrichCPR, 603B528, J-001532, S11-0030, Z1839486638, 1-Ethyl-1H-indole, n-boc-3-cyanopyrrolidine, 1-N-Boc-3-Cyanopyrrolidine, (R)-1-Benzyl-3-pyrrolidinecarbonitrile, C10H11N, C12H14N2, CID4674579, A2017, 157528-56-8, 159063-16-8, 476493-40-0, 10604-59-8,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.258g/mol
Monoisotopic Mass	186.116g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H319
Packing Group	Ⅲ
Precautionary statements	P301+P310-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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