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1171130-36-1 | Carbamic acid, N-(3-azetidinylmethyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 1171130-36-1 Catalog No: AG000DR6 MDL No:
Product Description
Catalog Number:
AG000DR6
Chemical Name:
Carbamic acid, N-(3-azetidinylmethyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1171130-36-1
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
IUPAC Name:
benzyl N-(azetidin-3-yl)-N-methylcarbamate;hydrochloride
InChI:
InChI=1S/C12H16N2O2.ClH/c1-14(11-7-13-8-11)12(15)16-9-10-5-3-2-4-6-10;/h2-6,11,13H,7-9H2,1H3;1H
InChI Key:
UGSMXDFCWUYBAV-UHFFFAOYSA-N
SMILES:
O=C(NCC1CNC1)OCc1ccccc1.Cl
Properties
Complexity:
235
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:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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