Home > Compound List > Compound details
88829-82-7 molecular structure
click picture or here to close

tert-butyl N-(8-aminooctyl)carbamate

ChemBase ID: 75184
Molecular Formular: C13H28N2O2
Molecular Mass: 244.37362
Monoisotopic Mass: 244.21507815
SMILES and InChIs

SMILES:
NCCCCCCCCNC(=O)OC(C)(C)C
Canonical SMILES:
NCCCCCCCCNC(=O)OC(C)(C)C
InChI:
InChI=1S/C13H28N2O2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14/h4-11,14H2,1-3H3,(H,15,16)
InChIKey:
BEHVGNKIRNVBPF-UHFFFAOYSA-N

Cite this record

CBID:75184 http://www.chembase.cn/molecule-75184.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(8-aminooctyl)carbamate
IUPAC Traditional name
tert-butyl N-(8-aminooctyl)carbamate
Synonyms
tert-Butyl (8-aminooct-1-yl)carbamate
1,8-Diaminooctane, N1-BOC protected 95%
CAS Number
88829-82-7
MDL Number
MFCD02094499
PubChem SID
162040102
PubChem CID
4086223

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR1103 external link Add to cart Please log in.
Data Source Data ID
PubChem 4086223 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.286335  H Acceptors
H Donor LogD (pH = 5.5) -0.59873646 
LogD (pH = 7.4) -0.17895983  Log P 2.4252517 
Molar Refractivity 70.6556 cm3 Polarizability 28.099009 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
93-97°C expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold 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