AG008RUR

1187931-76-5 | (S)-Tert-butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate

AG008RUR

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CAS Number	1187931-76-5
Catalog Number	AG008RUR(AGN-PC-0WAGU3)
Chemical Name	(S)-Tert-butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate
IUPAC Name	tert-butyl (3S)-3-(cyanomethyl)pyrrolidine-1-carboxylate
InChI	InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-5,7-8H2,1-3H3/t9-/m1/s1
InChI Key	IPLBXZOFLWOERN-SECBINFHSA-N
MDL Number	MFCD06738465
Molecular Formula	C11H18N2O2
Molecular Weight	210.2728
SMILES	O=C(N1C[C@H](CC#N)CC1)OC(C)(C)C
Synonyms	1187931-76-5, (S)-TERT-BUTYL 3-(CYANOMETHYL)PYRROLIDINE-1-CARBOXYLATE, 3(S)-CYANOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, (S)-3-CYANOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, tert-butyl (S)-3-cyanomethylpyrrolidine-1-carboxylate, SCHEMBL15626875, IPLBXZOFLWOERN-SECBINFHSA-N, 9241AH, MFCD06738465, ZINC57218734, AKOS024260799, AB27164, FCH3533547, AS-43158, AJ-112840, AX8289525, Z-7119, tert-butyl (S)-3-(cyanomethyl)pyrrolidine-1-carboxylate, C11H18N2O2,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	210.137g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.277g/mol
Monoisotopic Mass	210.137g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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