Home > Compound List > Compound details
80696-28-2 molecular structure
click picture or here to close

(2R)-2-aminohexan-1-ol

ChemBase ID: 150445
Molecular Formular: C6H15NO
Molecular Mass: 117.1894
Monoisotopic Mass: 117.11536411
SMILES and InChIs

SMILES:
CCCC[C@H](CO)N
Canonical SMILES:
CCCC[C@H](CO)N
InChI:
InChI=1S/C6H15NO/c1-2-3-4-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m1/s1
InChIKey:
DPEOTCPCYHSVTC-ZCFIWIBFSA-N

Cite this record

CBID:150445 http://www.chembase.cn/molecule-150445.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-aminohexan-1-ol
IUPAC Traditional name
(2R)-2-aminohexan-1-ol
Synonyms
D-Norleucinol
(R)-(-)-2-Amino-1-hexanol
D-己氨醇
(R)-(-)-2-氨基-1-己醇
CAS Number
80696-28-2
MDL Number
MFCD02683227
PubChem SID
24878044
162244606
PubChem CID
6994402

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
534552 external link Add to cart Please log in.
Data Source Data ID
PubChem 6994402 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.127817  H Acceptors
H Donor LogD (pH = 5.5) -2.499241 
LogD (pH = 7.4) -1.8249879  Log P 0.51267385 
Molar Refractivity 34.3559 cm3 Polarizability 13.926987 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
40-44 °C(lit.) expand Show data source
Boiling Point
216-218 °C(lit.) expand Show data source
Flash Point
210.2 °F expand Show data source
99 °C expand Show data source
Optical Rotation
[α]20/D -14°, c = 1 in chloroform expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
Linear Formula
CH3(CH2)3CH(NH2)CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 534552 external link
Packaging
1 g in glass bottle

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