AG009IDA

1306763-30-3 | (S)-tert-butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate

AG009IDA

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CAS Number	1306763-30-3
Catalog Number	AG009IDA(AGN-PC-0WNGMC)
Chemical Name	(S)-tert-butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate
IUPAC Name	tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
InChI	InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-8-7-11-10(9-16)5-4-6-12(11)13/h4-6,13H,7-8H2,1-3H3,(H,17,18)/t13-/m1/s1
InChI Key	LBHMMDUJKBJVQI-CYBMUJFWSA-N
MDL Number	MFCD28502614
Molecular Formula	C15H18N2O2
Molecular Weight	258.3156
SMILES	O=C(OC(C)(C)C)N[C@@H]1CCC2=C1C=CC=C2C#N
Synonyms	1306763-30-3, (R)-tert-Butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate, SCHEMBL1876704, LBHMMDUJKBJVQI-CYBMUJFWSA-N, KS-00000U5C, MFCD28502614, AKOS030632995, ZINC117397965, DS-19867, (R)-tert-butyl 4-cyano-2,3-dihydro-1H-inden-1-ylcarbamate, t-Butyl (R)-(4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate, ACN-055039, (S)-tert-butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate,

Complexity	391
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	258.137g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.321g/mol
Monoisotopic Mass	258.137g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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