Home > Compound List > Compound details
1217631-35-0 molecular structure
click picture or here to close

tert-butyl N-[(2R)-1-aminopropan-2-yl]carbamate hydrochloride

ChemBase ID: 64885
Molecular Formular: C8H19ClN2O2
Molecular Mass: 210.70166
Monoisotopic Mass: 210.11350554
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)[C@@H](CN)C.Cl
Canonical SMILES:
NC[C@H](NC(=O)OC(C)(C)C)C.Cl
InChI:
InChI=1S/C8H18N2O2.ClH/c1-6(5-9)10-7(11)12-8(2,3)4;/h6H,5,9H2,1-4H3,(H,10,11);1H/t6-;/m1./s1
InChIKey:
CNHXWWFZXWRQAK-FYZOBXCZSA-N

Cite this record

CBID:64885 http://www.chembase.cn/molecule-64885.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(2R)-1-aminopropan-2-yl]carbamate hydrochloride
IUPAC Traditional name
tert-butyl N-[(2R)-1-aminopropan-2-yl]carbamate hydrochloride
Synonyms
tert-Butyl (R)-1-aminopropan-2-ylcarbamate hydrochloride
(R)-2-N-Boc-propane-1,2-diamine hydrochloride
CAS Number
1217631-35-0
100927-10-4
MDL Number
MFCD11109482
PubChem SID
162030624
PubChem CID
50990946

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 50990946 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.13226  H Acceptors
H Donor LogD (pH = 5.5) -2.460564 
LogD (pH = 7.4) -1.2870042  Log P 0.48622975 
Molar Refractivity 47.1604 cm3 Polarizability 18.901976 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle