Name: Name:Carbamic acid, N,N-dimethyl-, 3-aminophenyl ester
Brand: Angene
SKU: AG002C9D
Rating: 90 (10 reviews)

Carbamic acid, N,N-dimethyl-, 3-aminophenyl ester

CAS No.:

19962-04-0

Catalog Number:

AG002C9D

Molecular Formula:

C9H12N2O2

Molecular Weight:

180.2038

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Product Description

Catalog Number:

AG002C9D

Chemical Name:

Carbamic acid, N,N-dimethyl-, 3-aminophenyl ester

CAS Number:

19962-04-0

Molecular Formula:

C9H12N2O2

Molecular Weight:

180.2038

MDL Number:

MFCD00052699

IUPAC Name:

(3-aminophenyl) N,N-dimethylcarbamate

InChI:

InChI=1S/C9H12N2O2/c1-11(2)9(12)13-8-5-3-4-7(10)6-8/h3-6H,10H2,1-2H3

InChI Key:

LKEQZFMJKLCAEA-UHFFFAOYSA-N

SMILES:

Nc1cccc(c1)OC(=O)N(C)C

Properties

Complexity:

183

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.207g/mol

Monoisotopic Mass:

180.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties