(1-(Aminomethyl)cycloheptyl)methanol
Basic information
- CAS
97564-98-2- Standard SMILES
NCC1(CO)CCCCCC1- InChIKey
CUSMDAXJTOHSIX-UHFFFAOYSA-N- Molecular formula
- C9H19NO
- Average molar mass
- 157.25 g/mol
- Monoisotopic mass
- 157.14666423
Names & identifiers
- Preferred name
- (1-(Aminomethyl)cycloheptyl)methanol
- IUPAC
- [1-(aminomethyl)cycloheptyl]methanol
Names & synonyms
97564-98-2(1-(aminomethyl)cycloheptyl)methanol[1-(aminomethyl)cycloheptyl]methanolSCHEMBL4078173CUSMDAXJTOHSIX-UHFFFAOYSA-N1-(Aminomethyl)-cycloheptanemethanolAKOS011350088EN300-682479
Database identifiers
- CAS
97564-98-2- PubChem CID
- 23120751
- EC Number
- 184-736-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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