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5452-35-7 molecular structure
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cycloheptanamine

ChemBase ID: 74481
Molecular Formular: C7H15N
Molecular Mass: 113.2007
Monoisotopic Mass: 113.12044949
SMILES and InChIs

SMILES:
NC1CCCCCC1
Canonical SMILES:
NC1CCCCCC1
InChI:
InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
InChIKey:
VXVVUHQULXCUPF-UHFFFAOYSA-N

Cite this record

CBID:74481 http://www.chembase.cn/molecule-74481.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cycloheptanamine
IUPAC Traditional name
cycloheptanamine
Synonyms
Cycloheptylamine
Aminocycloheptane
Cycloheptylamine
环庚烷胺
环庚胺
CAS Number
5452-35-7
EC Number
226-693-1
MDL Number
MFCD00004153
Beilstein Number
1847543
PubChem SID
24893208
24857368
162039400
PubChem CID
2899

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4095719  LogD (pH = 7.4) -1.1248164 
Log P 1.6183803  Molar Refractivity 35.534 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)
Melting Point
-18°C expand Show data source
Boiling Point
53-55°C/11mm expand Show data source
54 °C/11 mmHg(lit.) expand Show data source
Flash Point
116.6 °F expand Show data source
42°C(107°F) expand Show data source
47 °C expand Show data source
Density
0.888 expand Show data source
0.889 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4724 expand Show data source
n20/D 1.472 expand Show data source
n20/D 1.472(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2734 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
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
10-34 expand Show data source
10-37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
23 expand Show data source
23-26-36/37/39-45 expand Show data source
S:20-25-26-37/39 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
Warning expand Show data source
GHS Hazard statements
H226-H315-H335 expand Show data source
H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2734 8/PG 2 expand Show data source
Purity
≥97.0% (GC) expand Show data source
97% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C7H13NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05203875 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - C99604 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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