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70095-40-8 molecular structure
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(2R)-hexan-2-amine

ChemBase ID: 143227
Molecular Formular: C6H15N
Molecular Mass: 101.19
Monoisotopic Mass: 101.12044949
SMILES and InChIs

SMILES:
CCCC[C@@H](C)N
Canonical SMILES:
CCCC[C@H](N)C
InChI:
InChI=1S/C6H15N/c1-3-4-5-6(2)7/h6H,3-5,7H2,1-2H3/t6-/m1/s1
InChIKey:
WGBBUURBHXLGFM-ZCFIWIBFSA-N

Cite this record

CBID:143227 http://www.chembase.cn/molecule-143227.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-hexan-2-amine
IUPAC Traditional name
(2R)-hexan-2-amine
Synonyms
(R)-2-Hexylamine
(R)-2-Aminohexane
(2R)-Hexylamine
(R)-1-Methylpentylamine
(R)-(-)-2-Aminohexane
(R)-2-己基胺
(R)-2-氨基己烷
(R)-(-)-2-氨基己烷
CAS Number
70095-40-8
EC Number
000-000-0
MDL Number
MFCD00671627
Beilstein Number
5237601
1718994
PubChem SID
162237448
24858217
PubChem CID
6993464

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6993464 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.468077  LogD (pH = 7.4) -1.1717782 
Log P 1.5595838  Molar Refractivity 32.8122 cm3
Polarizability 13.342089 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
<-20°C expand Show data source
Boiling Point
116°C expand Show data source
Flash Point
<131 °F expand Show data source
<55 °C expand Show data source
-3°C(26°F) expand Show data source
Density
0.755 expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
X expand Show data source
UN Number
2735 expand Show data source
UN2733 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
10-21/22-35 expand Show data source
11-20/21/22-34 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H314-H318-H302-H312-H332 expand Show data source
H226-H301-H311-H314 expand Show data source
GHS Precautionary statements
P210-P280-P305+P351+P338-P309-P310 expand Show data source
P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 2 expand Show data source
Purity
≥97.0% (GC) expand Show data source
≥99% expand Show data source
≥99.0% (GC) expand Show data source
ChiPros 99+%, ee 96+% expand Show data source
Grade
produced by BASF expand Show data source
Optical Purity
enantiomeric excess: ≥99.0% expand Show data source
enantiomeric ratio: >99.0:1.0 (GC) expand Show data source
Empirical Formula (Hill Notation)
C6H15N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 30192 external link
Packaging
250 mg in glass bottle
Sigma Aldrich - 727164 external link
Packaging
5, 25 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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