Home Carboxys methyl 4-cyanopiperidine-4-carboxylate hydrochloride

methyl 4-cyanopiperidine-4-carboxylate hydrochloride

CAS No.:
1205749-65-0
Catalog Number:
AG00IKX4
Molecular Formula:
C8H13ClN2O2
Molecular Weight:
204.6540
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Product Description
Catalog Number:
AG00IKX4
Chemical Name:
methyl 4-cyanopiperidine-4-carboxylate hydrochloride
CAS Number:
1205749-65-0
Molecular Formula:
C8H13ClN2O2
Molecular Weight:
204.6540
MDL Number:
MFCD12408598
IUPAC Name:
methyl 4-cyanopiperidine-4-carboxylate;hydrochloride
InChI:
InChI=1S/C8H12N2O2.ClH/c1-12-7(11)8(6-9)2-4-10-5-3-8;/h10H,2-5H2,1H3;1H
InChI Key:
AANCMLHBNLKLJC-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCNCC1)C#N.Cl
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
204.654g/mol
Monoisotopic Mass:
204.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties