Basic information
- CAS
199327-17-8- Standard SMILES
Cc1cc(C)cc(C(N)C(=O)O)c1- InChIKey
YDZDSCDHEYQPSA-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 2-Amino-2-(3,5-dimethylphenyl)acetic acid
- IUPAC
- 2-amino-2-(3,5-dimethylphenyl)acetic acid
- English name
- Amino-(3,5-dimethyl-phenyl)-acetic acid
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
199327-17-82-amino-2-(3,5-dimethylphenyl)acetic AcidRefChem:463377977-887-4Amino-(3,5-dimethyl-phenyl)-acetic acidMFCD02662461amino(3,5-dimethylphenyl)acetic acidSCHEMBL25660564ZHA32717STK130268AKOS001476020NCGC00338829-01
Show more names
Benzeneacetic acid, α-amino-3,5-dimethyl-
2-amino-2-(3,5-dimethylphenyl)aceticAcidCS-0308881EN300-137947N10891AB01331279-02F718704Z838975722Amino(3,5-dimethylphenyl)acetic acid (H-DL-Phg(3,5-diMe)-OH)
Database identifiers
- CAS
199327-17-8- PubChem CID
- 3940593
- EC Number
- 977-887-4
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 317.1 · 317.1±30.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- pka
- 1.95 · 1.95±0.10(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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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