CAS 13324-66-8 | Benzenemethanamine, N-cyclopropyl- | CAS Number 13324-66-8

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13324-66-8 | Benzenemethanamine, N-cyclopropyl-

CAS No: 13324-66-8 Catalog No: AG0014G6 MDL No:MFCD00089909

Product Description

Catalog Number:

AG0014G6

Chemical Name:

Benzenemethanamine, N-cyclopropyl-

CAS Number:

13324-66-8

Molecular Formula:

C10H13N

Molecular Weight:

147.2169

MDL Number:

MFCD00089909

IUPAC Name:

N-benzylcyclopropanamine

InChI:

InChI=1S/C10H13N/c1-2-4-9(5-3-1)8-11-10-6-7-10/h1-5,10-11H,6-8H2

InChI Key:

USBAUXJPPHVCTF-UHFFFAOYSA-N

SMILES:

N(C1CC1)Cc1ccccc1

Properties

Complexity:

112

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

147.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

147.221g/mol

Monoisotopic Mass:

147.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Predicting biological functions of compounds based on chemical-chemical interactions.	PloS one 20110101
Cytochrome P450-catalyzed oxidation of N-benzyl-N-cyclopropylamine generates both cyclopropanone hydrate and 3-hydroxypropionaldehyde via hydrogen abstraction, not single electron transfer.	Journal of the American Chemical Society 20060315
Cyclopropylamine inactivation of cytochromes P450: role of metabolic intermediate complexes.	Archives of biochemistry and biophysics 20050415