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116373-23-0 | Benzenemethanamine, N-(cyclopropylmethyl)-
CAS No: 116373-23-0 Catalog No: AG000CCP MDL No:MFCD03129358
Product Description
Catalog Number:
AG000CCP
Chemical Name:
Benzenemethanamine, N-(cyclopropylmethyl)-
CAS Number:
116373-23-0
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
MDL Number:
MFCD03129358
IUPAC Name:
N-benzyl-1-cyclopropylmethanamine
InChI:
InChI=1S/C11H15N/c1-2-4-10(5-3-1)8-12-9-11-6-7-11/h1-5,11-12H,6-9H2
InChI Key:
QONMRPMQMVTSLW-UHFFFAOYSA-N
SMILES:
N(Cc1ccccc1)CC1CC1
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.248g/mol
Monoisotopic Mass:
161.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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