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1217805-12-3 | Carbamic acid, N-[(3S)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1217805-12-3 Catalog No: AG0015Z0 MDL No:MFCD11112275
Product Description
Catalog Number:
AG0015Z0
Chemical Name:
Carbamic acid, N-[(3S)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1217805-12-3
Molecular Formula:
C11H23ClN2O2
Molecular Weight:
250.7655
MDL Number:
MFCD11112275
IUPAC Name:
tert-butyl N-[[(3S)-piperidin-3-yl]methyl]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/t9-;/m0./s1
InChI Key:
BIBCIACSFRCABS-FVGYRXGTSA-N
SMILES:
O=C(OC(C)(C)C)NC[C@H]1CCCNC1.Cl
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
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