Name: Name:Benzonitrile, 3-[(S)-aminocyclopropylmethyl]-, hydrochloride (1:1)
Brand: Angene
SKU: AG001ADO
Rating: 90 (10 reviews)

Benzonitrile, 3-[(S)-aminocyclopropylmethyl]-, hydrochloride (1:1)

CAS No.:

1391436-28-4

Catalog Number:

AG001ADO

Molecular Formula:

C11H13ClN2

Molecular Weight:

208.6873

Catalog Number:

AG001ADO

Chemical Name:

Benzonitrile, 3-[(S)-aminocyclopropylmethyl]-, hydrochloride (1:1)

CAS Number:

1391436-28-4

Molecular Formula:

C11H13ClN2

Molecular Weight:

208.6873

MDL Number:

MFCD16295160

IUPAC Name:

3-[(S)-amino(cyclopropyl)methyl]benzonitrile;hydrochloride

InChI:

InChI=1S/C11H12N2.ClH/c12-7-8-2-1-3-10(6-8)11(13)9-4-5-9;/h1-3,6,9,11H,4-5,13H2;1H/t11-;/m0./s1

InChI Key:

CXDUXOXXFNXOSK-MERQFXBCSA-N

SMILES:

N#Cc1cccc(c1)[C@H](C1CC1)N.Cl

Complexity:

224

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.689g/mol

Monoisotopic Mass:

208.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: