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1170905-43-7 | Carbamic acid, N-[2-(3-azetidinyl)ethyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1170905-43-7 Catalog No: AG000DP2 MDL No:MFCD09998720
Product Description
Catalog Number:
AG000DP2
Chemical Name:
Carbamic acid, N-[2-(3-azetidinyl)ethyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1170905-43-7
Molecular Formula:
C10H21ClN2O2
Molecular Weight:
236.7389
MDL Number:
MFCD09998720
IUPAC Name:
tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate;hydrochloride
InChI:
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-5-4-8-6-11-7-8;/h8,11H,4-7H2,1-3H3,(H,12,13);1H
InChI Key:
QIMXDYCKJPAYNW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCC1CNC1.Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.129g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.74g/mol
Monoisotopic Mass:
236.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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