Name: Name:1H-Benzotriazole-1-methanamine, N-methyl-N-phenyl-
Brand: Angene
SKU: AG001NI9
Rating: 90 (10 reviews)

1H-Benzotriazole-1-methanamine, N-methyl-N-phenyl-

CAS No.:

15497-51-5

Catalog Number:

AG001NI9

Molecular Formula:

C14H14N4

Molecular Weight:

238.2878

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

90+%

1 week

United States

$135

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Product Description

Catalog Number:

AG001NI9

Chemical Name:

1H-Benzotriazole-1-methanamine, N-methyl-N-phenyl-

CAS Number:

15497-51-5

Molecular Formula:

C14H14N4

Molecular Weight:

238.2878

MDL Number:

MFCD00799563

IUPAC Name:

N-(benzotriazol-1-ylmethyl)-N-methylaniline

InChI:

InChI=1S/C14H14N4/c1-17(12-7-3-2-4-8-12)11-18-14-10-6-5-9-13(14)15-16-18/h2-10H,11H2,1H3

InChI Key:

VIBLZNXJYGXWHR-UHFFFAOYSA-N

SMILES:

CN(c1ccccc1)Cn1nnc2c1cccc2

Properties

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.294g/mol

Monoisotopic Mass:

238.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601