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7003-32-9 molecular structure
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2-methylcyclohexan-1-amine

ChemBase ID: 110910
Molecular Formular: C7H15N
Molecular Mass: 113.2007
Monoisotopic Mass: 113.12044949
SMILES and InChIs

SMILES:
CC1CCCCC1N
Canonical SMILES:
CC1CCCCC1N
InChI:
InChI=1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3
InChIKey:
FEUISMYEFPANSS-UHFFFAOYSA-N

Cite this record

CBID:110910 http://www.chembase.cn/molecule-110910.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylcyclohexan-1-amine
IUPAC Traditional name
2-methylcyclohexan-1-amine
Synonyms
1-Amino-2-methylcyclohexane
2-Methylcyclohexylamine, mixture of cis and trans
2-Methylcyclohexylamine
CYCLOHEXYLMETHYLAMINE
2-Methylcyclohexylamine, cis + trans
2-Methylcyclohexylamine
邻甲基环己胺
2-甲基环己胺,顺反异构体混合物
2-甲基环己胺
2-甲基环己基胺, cis + trans
CAS Number
7003-32-9
EC Number
230-277-5
MDL Number
MFCD00001492
Beilstein Number
2689073
PubChem SID
162103222
24851594
24884688
PubChem CID
23432

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4896855  LogD (pH = 7.4) -1.2262532 
Log P 1.5387845  Molar Refractivity 35.4046 cm3
Polarizability 14.445701 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)
Boiling Point
147-149 °C(lit.) expand Show data source
149-150 °C(lit.) expand Show data source
149-150°C expand Show data source
Flash Point
102.2 °F expand Show data source
21°C(69°F) expand Show data source
39 °C expand Show data source
Density
0.856 g/mL at 25 °C(lit.) expand Show data source
0.858 expand Show data source
0.859 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.4565 expand Show data source
n20/D 1.4565(lit.) expand Show data source
n20/D 1.457 expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2733 expand Show data source
UN2733 expand Show data source
MSDS Link
Download expand Show data source
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
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
10-22-34 expand Show data source
10-34 expand Show data source
Safety Statements
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
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H314-H318 expand Show data source
H226-H302-H314 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A 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 2733 3/PG 2 expand Show data source
Purity
≥99.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3C6H10NH2 expand Show data source
Empirical Formula (Hill Notation)
C7H15N expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05216935 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 193437 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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