Home Nitriles 4-(aminomethyl)oxane-4-carbonitrile hydrochloride

4-(aminomethyl)oxane-4-carbonitrile hydrochloride

CAS No.:
1909325-40-1
Catalog Number:
AG01AD0W
Molecular Formula:
C7H13ClN2O
Molecular Weight:
176.6439
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Product Description
Catalog Number:
AG01AD0W
Chemical Name:
4-(aminomethyl)oxane-4-carbonitrile hydrochloride
CAS Number:
1909325-40-1
Molecular Formula:
C7H13ClN2O
Molecular Weight:
176.6439
IUPAC Name:
4-(aminomethyl)oxane-4-carbonitrile;hydrochloride
InChI:
InChI=1S/C7H12N2O.ClH/c8-5-7(6-9)1-3-10-4-2-7;/h1-5,8H2;1H
InChI Key:
BWJFWIAYYYPXLG-UHFFFAOYSA-N
SMILES:
NCC1(CCOCC1)C#N.Cl
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.072g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.644g/mol
Monoisotopic Mass:
176.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties