Home Carboxys phenyl 1,4-diazepane-1-carboxylate hydrochloride

phenyl 1,4-diazepane-1-carboxylate hydrochloride

CAS No.:
1240526-24-2
Catalog Number:
AG01A94Q
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
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Product Description
Catalog Number:
AG01A94Q
Chemical Name:
phenyl 1,4-diazepane-1-carboxylate hydrochloride
CAS Number:
1240526-24-2
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
MDL Number:
MFCD16547641
IUPAC Name:
phenyl 1,4-diazepane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C12H16N2O2.ClH/c15-12(14-9-4-7-13-8-10-14)16-11-5-2-1-3-6-11;/h1-3,5-6,13H,4,7-10H2;1H
InChI Key:
GIEBWDMAORMDPL-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCCC1)Oc1ccccc1.Cl
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.73g/mol
Monoisotopic Mass:
256.098g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties