Name: Name:N-Benzyl-2-chloro-9H-purin-6-amine
Brand: Angene
SKU: AG00C6GQ
Rating: 90 (10 reviews)

N-Benzyl-2-chloro-9H-purin-6-amine

CAS No.:

39639-47-9

Catalog Number:

AG00C6GQ

Molecular Formula:

C12H10ClN5

Molecular Weight:

259.6943

Catalog Number:

AG00C6GQ

Chemical Name:

N-Benzyl-2-chloro-9H-purin-6-amine

CAS Number:

39639-47-9

Molecular Formula:

C12H10ClN5

Molecular Weight:

259.6943

MDL Number:

MFCD09701466

IUPAC Name:

N-benzyl-2-chloro-7H-purin-6-amine

InChI:

InChI=1S/C12H10ClN5/c13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,15,16,17,18)

InChI Key:

IJKBYBPPNNHJSF-UHFFFAOYSA-N

SMILES:

Clc1nc(NCc2ccccc2)c2c(n1)[nH]cn2

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.697g/mol

Monoisotopic Mass:

259.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9