Basic information
- Standard SMILES
COCCNC1CCCCC1- InChIKey
WLNWJJLFZFNSAW-UHFFFAOYSA-N- Molecular formula
- C9H19NO
- Average molar mass
- 157.25 g/mol
- Monoisotopic mass
- 157.14666423
Names & identifiers
- Preferred name
- N-(2-methoxyethyl)cyclohexanamine
- IUPAC
- N-(2-methoxyethyl)cyclohexanamine
- English name
- N-(2-methoxyethyl)cyclohexanamine
- Molecular formula
- C9H19NO
- Molecular weight
- 157.25
Names & synonyms
N-(2-Methoxyethyl)cyclohexanamine55611-82-0RefChem:825556877-658-8cyclohexyl-(2-methoxy-ethyl)-amineSCHEMBL2774793SCHEMBL13088421WLNWJJLFZFNSAW-UHFFFAOYSA-NAKOS000228705DA-42095CS-0303616EN300-32502
Show more names
Cyclohexanamine, N-(2-methoxyethyl)-
G47179Z90501874F2158-0988
Database identifiers
- CAS
55611-82-0- PubChem CID
- 12687399
- EC Number
- 877-658-8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 89
Physicochemical properties
- Boiling point
- 215.7 · 215.7±13.0 °C(Predicted)
- Density
- 0.9 · 0.90±0.1 g/cm3(Predicted)
- pka
- 9.44 · 9.44±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H302-H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
常州优瑞医药科技有限公司18168818882 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
9 records
Linked notes
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