(1-(Aminomethyl)cyclopropyl)(phenyl)methanol
Basic information
- CAS
1423026-10-1- Standard SMILES
NCC1(C(O)c2ccccc2)CC1- InChIKey
BQVTURXDLVTTFG-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- (1-(Aminomethyl)cyclopropyl)(phenyl)methanol
- IUPAC
- [1-(aminomethyl)cyclopropyl]-phenylmethanol
- English name
- [1-(aminomethyl)cyclopropyl](phenyl)methanol
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
[1-(aminomethyl)cyclopropyl](phenyl)methanol1423026-10-1(1-(Aminomethyl)cyclopropyl)(phenyl)methanolRefChem:391825969-489-4[1-(aminomethyl)cyclopropyl]-phenylmethanolYGC02610AKOS023558665EN300-115303F2189-0695Z1483793217Benzenemethanol, α-[1-(aminomethyl)cyclopropyl]-
Database identifiers
- CAS
1423026-10-1- PubChem CID
- 71756940
- EC Number
- 969-489-4
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 302.8 · 302.8±15.0 °C(Predicted)
- Density
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- pka
- 14.29 · 14.29±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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