Home > Compound List > Compound details
333743-54-7 molecular structure
click picture or here to close

tert-butyl N-[(2R)-2-aminopropyl]carbamate

ChemBase ID: 815607
Molecular Formular: C8H18N2O2
Molecular Mass: 174.24072
Monoisotopic Mass: 174.13682783
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)C[C@@H](C)N
Canonical SMILES:
C[C@H](CNC(=O)OC(C)(C)C)N
InChI:
InChI=1S/C8H18N2O2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKey:
UYNSYFDLTSSUNI-ZCFIWIBFSA-N

Cite this record

CBID:815607 http://www.chembase.cn/molecule-815607.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(2R)-2-aminopropyl]carbamate
IUPAC Traditional name
tert-butyl N-[(2R)-2-aminopropyl]carbamate
Synonyms
(R)-tert-butyl 2-aminopropylcarbamate
CAS Number
333743-54-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37960 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37960 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.387548  H Acceptors
H Donor LogD (pH = 5.5) -2.4905949 
LogD (pH = 7.4) -1.4719446  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

Product Information Bioassay(PubChem)
Purity
98% 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