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137731-41-0 molecular structure
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tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate

ChemBase ID: 50258
Molecular Formular: C11H22N2O2
Molecular Mass: 214.30458
Monoisotopic Mass: 214.16812795
SMILES and InChIs

SMILES:
C(=O)(NC1[C@H](N)CCCC1)OC(C)(C)C
Canonical SMILES:
O=C(OC(C)(C)C)NC1CCCC[C@H]1N
InChI:
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9?/m1/s1
InChIKey:
AKVIZYGPJIWKOS-VEDVMXKPSA-N

Cite this record

CBID:50258 http://www.chembase.cn/molecule-50258.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate
IUPAC Traditional name
tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate
Synonyms
tert-Butyl (1R,2R)-2-aminocyclohexylcarbamate
CAS Number
137731-41-0
MDL Number
MFCD08726023
PubChem SID
162055021
PubChem CID
56832282

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 56832282 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.93918  H Acceptors
H Donor LogD (pH = 5.5) -1.5006162 
LogD (pH = 7.4) -0.5369859  Log P 1.4841237 
Molar Refractivity 58.825 cm3 Polarizability 23.692034 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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