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1159826-67-1 | Carbamic acid, N-(3-piperidinylmethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1159826-67-1 Catalog No: AG000HCJ MDL No:MFCD11101360
Product Description
Catalog Number:
AG000HCJ
Chemical Name:
Carbamic acid, N-(3-piperidinylmethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1159826-67-1
Molecular Formula:
C11H23ClN2O2
Molecular Weight:
250.7655
MDL Number:
MFCD11101360
IUPAC Name:
tert-butyl N-(piperidin-3-ylmethyl)carbamate;hydrochloride
InChI:
InChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9;/h9,12H,4-8H2,1-3H3,(H,13,14);1H
InChI Key:
BIBCIACSFRCABS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCCNC1.Cl
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.145g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.767g/mol
Monoisotopic Mass:
250.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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