Basic information
- CAS
68285-24-5- Standard SMILES
COc1ccccc1[C@H](C)N- InChIKey
VENQOHAPVLVQKV-ZETCQYMHSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- (alphaS)-2-Methoxy-alpha-methylbenzenemethanamine
- IUPAC
- (1S)-1-(2-methoxyphenyl)ethanamine
- English name
- (S)-1-(2-Methoxyphenyl)ethylamine
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
68285-24-5RefChem:405731(alphaS)-2-Methoxy-alpha-methylbenzenemethanamine(S)-1-(2-Methoxyphenyl)ethanamine(1S)-1-(2-methoxyphenyl)ethanamineMFCD00671658(S)-1-(2-Methoxyphenyl)ethan-1-amine(1S)-1-(2-methoxyphenyl)ethylamine(1S)-1-(2-methoxyphenyl)ethan-1-amine(S)-1-(2-Methoxyphenyl)ethylamineAKOS010377903(1S)-1-(2-methoxyphenyl)-ethylamine
Show more names
2-Methoxy-alpha-methylbenzylamine(S)-1-(2-methyloxyphenyl)ethylamine(S)-(-)-2-METHOXY A-METHYLBENZYLAMINE(S)-1-(2-METHOXYPHENYL)ETHANAMINE-HCL(S)-2-Methoxy-α-methylbenzylamine
EN300-87753(S)-2-Methoxy-alpha-methylbenzylamine, ChiPros(R), produced by BASF, 99%(s)-2-methoxy-alpha-methylbenzylamineSCHEMBL334379SCHEMBL29705638DTXSID30357392VENQOHAPVLVQKV-ZETCQYMHSA-NSBB027290
Database identifiers
- CAS
68285-24-5- PubChem CID
- 853082
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 118 °C/17mm · 118°C/17mm
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- Flash point
- 118 °C/17mm · 118°C/17mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 9.13 · 9.13±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- optical activity
- Consistent with structure
- Water Solubility
- Soluble in water(22 g/L).
- Sensitive
- Air Sensitive
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H318-H314-H331
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P310-P260h-P301+P310a-P303+P361+P353-P405-P501a
- Hazard Codes
- C
- Risk Statements
- 20 · 20-34
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 (11.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- UN2735
- risk_code
- 20-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H301-H311-H318-H314-H331
- Precautionary statements
- P261-P280-P305+P351+P338-P310-P260h-P301+P310a-P303+P361+P353-P405-P501a
Chemistry & industry
Applications
Uses(S)-1-(2-Methoxyphenyl)ethylamine play an important role in stereoselective organic synthesis. They are used directly as resolving agents, building blocks or chiral auxiliaries.
Suppliers46 total
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都川研医工生物科技有限公司18280298385;18280298385 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
宝鸡缔都医药化工有限公司
Related reactions
4 records
Compound notes
Loading…