Basic information
- CAS
60659-10-1- Standard SMILES
NCC1CCCCC1O- InChIKey
JGKFBZBVCAWDFD-UHFFFAOYSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Names & identifiers
- Preferred name
- 2-(Aminomethyl)cyclohexan-1-ol
- IUPAC
- 2-(aminomethyl)cyclohexan-1-ol
- English name
- 2-(Aminomethyl)cyclohexanol
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2
Names & synonyms
2-(aminomethyl)cyclohexan-1-ol60659-10-1RefChem:459601837-254-42-(Aminomethyl)cyclohexanolMFCD121900462-Aminomethyl-cyclohexanol5691-09-8trans-2-(aminomethyl)cyclohexanol2-hydroxybenzylamine,98%2-(aminomethyl)-cyclohexanol2-aminomethyl-1-cyclohexanol
Show more names
Cyclohexanol, 2-(aminomethyl)-cis/trans-2-(Aminomethyl)cyclohexanol
SCHEMBL862022SCHEMBL1070129SCHEMBL27874822DTXSID30902922JGKFBZBVCAWDFD-UHFFFAOYSA-NAKOS009156650AB23390SB45605
Database identifiers
- CAS
60659-10-1- PubChem CID
- 533885
- DTXSID
DTXSID30902922- EC Number
- 837-254-4
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- 30 · 30-31 °C
- Boiling point
- 133 °C · 133 °C(Press: 17 Torr)
- Density
- 1.007 g/cm3 · 1.007 g/cm3(Temp: 25 °C)
- pka
- 15.11 · 15.11±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Safety & regulation
GHS classification
GHS Classification
Danger
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, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, 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 CategoriesSkin Corr. 1B (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers6 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
3 records
Compound notes
Loading…