Home Nitriles 4-{[(propan-2-yl)amino]methyl}benzonitrile hydrochloride

4-{[(propan-2-yl)amino]methyl}benzonitrile hydrochloride

CAS No.:
1251923-99-5
Catalog Number:
AG01A9TI
Molecular Formula:
C11H15ClN2
Molecular Weight:
210.7032
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A9TI
Chemical Name:
4-{[(propan-2-yl)amino]methyl}benzonitrile hydrochloride
CAS Number:
1251923-99-5
Molecular Formula:
C11H15ClN2
Molecular Weight:
210.7032
MDL Number:
MFCD16817446
IUPAC Name:
4-[(propan-2-ylamino)methyl]benzonitrile;hydrochloride
InChI:
InChI=1S/C11H14N2.ClH/c1-9(2)13-8-11-5-3-10(7-12)4-6-11;/h3-6,9,13H,8H2,1-2H3;1H
InChI Key:
UBLRXHHMDGPUKK-UHFFFAOYSA-N
SMILES:
CC(NCc1ccc(cc1)C#N)C.Cl
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.092g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.705g/mol
Monoisotopic Mass:
210.092g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties