Basic information
- CAS
91251-29-5- Standard SMILES
Cc1ccc(C(C)N)cc1C- InChIKey
PMUVPGYHXWUERM-UHFFFAOYSA-N- Molecular formula
- C10H15N
- Average molar mass
- 149.23 g/mol
- Monoisotopic mass
- 149.12044948
Names & identifiers
- Preferred name
- 1-(3,4-Dimethylphenyl)ethan-1-amine
- IUPAC
- 1-(3,4-dimethylphenyl)ethanamine
- English name
- 1-(3',4'-Dimethylphenyl)ethylamine
- Molecular formula
- C10H15N
- Molecular weight
- 149.23
Names & synonyms
1-(3,4-dimethylphenyl)ethan-1-amineRefChem:422861837-902-61-(3,4-dimethylphenyl)ethanamine91251-29-51-(3,4-Dimethyl-phenyl)-ethylamineMFCD021770541-(3,4-dimethylphenyl)ethylamineSCHEMBL36503581-(34-Dimethylphenyl)ethanamineDTXSID30408191PMUVPGYHXWUERM-UHFFFAOYSA-N
Show more names
AKOS B014347AKOS BC-0975TIMTEC-BB SBB009345ART-CHEM-BB B014347ASINEX-REAG BAS 13520249alpha,3,4-Trimethylbenzylamineα,3,4-Trimethylbenzenemethanamine1-(3',4'-Dimethylphenyl)ethylamine
HMS1704K06ALBB-001470BBL036329SBB009345STK346726AKOS000159985AKOS016345015SY079591
Database identifiers
- CAS
91251-29-5- PubChem CID
- 5086468
- DTXSID
DTXSID30408191- EC Number
- 837-902-6
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · 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
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, 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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- 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
Suppliers13 total
郑州格镭生物科技有限公司19903857099; 19937938981
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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