Home Nitriles 3-[(cyclopropylmethyl)amino]propanenitrile

3-[(cyclopropylmethyl)amino]propanenitrile

CAS No.:
58196-34-2
Catalog Number:
AG01AAPA
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
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Product Description
Catalog Number:
AG01AAPA
Chemical Name:
3-[(cyclopropylmethyl)amino]propanenitrile
CAS Number:
58196-34-2
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
MDL Number:
MFCD11165140
IUPAC Name:
3-(cyclopropylmethylamino)propanenitrile
InChI:
InChI=1S/C7H12N2/c8-4-1-5-9-6-7-2-3-7/h7,9H,1-3,5-6H2
InChI Key:
TXBNHIOKNSJQMO-UHFFFAOYSA-N
SMILES:
N#CCCNCC1CC1
Properties
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties