Home Nitriles 3-{methyl[(oxiran-2-yl)methyl]amino}propanenitrile

3-{methyl[(oxiran-2-yl)methyl]amino}propanenitrile

CAS No.:
3647-35-6
Catalog Number:
AG01AL2F
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
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Product Description
Catalog Number:
AG01AL2F
Chemical Name:
3-{methyl[(oxiran-2-yl)methyl]amino}propanenitrile
CAS Number:
3647-35-6
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD11129433
IUPAC Name:
3-[methyl(oxiran-2-ylmethyl)amino]propanenitrile
InChI:
InChI=1S/C7H12N2O/c1-9(4-2-3-8)5-7-6-10-7/h7H,2,4-6H2,1H3
InChI Key:
RGTWUWWGJZORLS-UHFFFAOYSA-N
SMILES:
N#CCCN(CC1CO1)C
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties