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6342-21-8 | N1,N1-Dimethyl-1-phenylethane-1,2-diamine
CAS No: 6342-21-8 Catalog No: AG003BLG MDL No:MFCD01631934
Product Description
Catalog Number:
AG003BLG
Chemical Name:
N1,N1-Dimethyl-1-phenylethane-1,2-diamine
CAS Number:
6342-21-8
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
MDL Number:
MFCD01631934
IUPAC Name:
N,N-dimethyl-1-phenylethane-1,2-diamine
InChI:
InChI=1S/C10H16N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
InChI Key:
NFSAPTWLWWYADB-UHFFFAOYSA-N
SMILES:
NCC(c1ccccc1)N(C)C
NSC Number:
49411
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.252g/mol
Monoisotopic Mass:
164.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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 |
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