1-(2-Isopropoxyphenyl)methanamine
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Basic information
- CAS
227199-51-1- Standard SMILES
CC(C)Oc1ccccc1CN- InChIKey
RJWAKPHKRZMFHG-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 1-(2-Isopropoxyphenyl)methanamine
- IUPAC
- (2-propan-2-yloxyphenyl)methanamine
- English name
- Benzenemethanamine, 2-(1-methylethoxy)- (9CI)
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
1-(2-Isopropoxyphenyl)methanamineRefChem:422292813-956-6(2-Isopropoxyphenyl)methanamine227199-51-1[2-(propan-2-yloxy)phenyl]methanamine(2-propan-2-yloxyphenyl)methanamine2-isopropoxybenzylamineMFCD04037890Benzenemethanamine, 2-(1-methylethoxy)- (9CI)Benzenemethanamine, 2-(1-methylethoxy)-2-Isopropoxy-benzylamine
Show more names
[2-(propan-2-yloxy)phenyl]methanamine - [P92345]
(2-Isopropoxyphenyl)methylamine(2-Isopropoxyphenyl)2-isopropoxy benzyl amine(2-Isopropoxyphenyl)methylamine, {[2-(Prop-2-yl)oxy]phenyl}methylamineSCHEMBL8557542-Isopropoxybenzylamine 95+%SCHEMBL2094543CHEMBL4540360
Database identifiers
- CAS
227199-51-1- PubChem CID
- 735893
- DTXSID
DTXSID00352874- ChEMBL
CHEMBL4540360- EC Number
- 813-956-6
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 53 · 53-56°C/0.07mm
- storage temp.
- 2 · 2-8°C
- Appearance
- Light yellow to yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- HS Code
- 2922290090 · 2922290090
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 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Corr. 1B (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2922290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
Suppliers
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Related reactions
2 records
Compound notes
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