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2258-21-1

2258-21-1 | 2-Methyl-1H-imidazole-1-propanamine

CAS No: 2258-21-1 Catalog No: AG0038VD MDL No:MFCD00272462

Product Description

Catalog Number:
AG0038VD
Chemical Name:
2-Methyl-1H-imidazole-1-propanamine
CAS Number:
2258-21-1
Molecular Formula:
C7H13N3
Molecular Weight:
139.1982
MDL Number:
MFCD00272462
IUPAC Name:
3-(2-methylimidazol-1-yl)propan-1-amine
InChI:
InChI=1S/C7H13N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2-3,5,8H2,1H3
InChI Key:
NDUDHWBKFFJGMA-UHFFFAOYSA-N
SMILES:
Cc1nccn1CCCN

Properties

Complexity:
94.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.111g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.202g/mol
Monoisotopic Mass:
139.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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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