AG003GH7

549488-76-8 | 2-Amino-5-isopropylbenzonitrile

AG003GH7

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CAS Number	549488-76-8
Catalog Number	AG003GH7(AGN-PC-035Q57)
Chemical Name	2-Amino-5-isopropylbenzonitrile
IUPAC Name	2-amino-5-propan-2-ylbenzonitrile
InChI	InChI=1S/C10H12N2/c1-7(2)8-3-4-10(12)9(5-8)6-11/h3-5,7H,12H2,1-2H3
InChI Key	IJUCGGBOPBJYSG-UHFFFAOYSA-N
MDL Number	MFCD11977495
Molecular Formula	C10H12N2
Molecular Weight	160.2157
SMILES	N#CC1=CC(C(C)C)=CC=C1N
Synonyms	2-amino-5-isopropylbenzonitrile, 549488-76-8, 2-Amino-5-(1-methylethyl)benzonitrile, 2-amino-5-(propan-2-yl)benzonitrile, Benzonitrile,2-amino-5-(1-methylethyl)-, 2-amino-5-isopropyl-benzonitrile, Benzonitrile, 2-amino-5-(1-methylethyl)-, PubChem16900, ACMC-20aik6, Benzonitrile, 2-amino-5-(1-methylethyl), SCHEMBL2418298, CTK5A2808, DTXSID80610707, IJUCGGBOPBJYSG-UHFFFAOYSA-N, 2-amino-5-propan-2-ylbenzonitrile, KS-000000OJ, ANW-74980, MFCD11977495, ZINC39103681, AKOS005146146, AC-7681, AN-8771, RTR-019400, AJ-98386, BR-31134, CJ-19773, SC-82941, AB0025442, DB-020450, ST2409550, FT-0649741, W6907, S-6885, 488A768, I01-4479, 2-Amino-5- benzonitrile, C10H12N2, A7973, Benzonitrile, 2-amino-5-(1-methylethyl)- (9CI),

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.1g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.22g/mol
Monoisotopic Mass	160.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.8A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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