Basic information
- CAS
1185295-87-7- Standard SMILES
Cc1ccc(C(=O)O)c(NC(=O)OC(C)(C)C)c1C- InChIKey
GDNHCMZHNNURST-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Names & identifiers
- Preferred name
- Boc-2-amino-3,4-dimethylbenzoic acid
- IUPAC
- 3,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
- English name
- Boc-2-amino-3,4-dimethylbenzoic acid
- Molecular formula
- C14H19NO4
- Molecular weight
- 265.3
Names & synonyms
1185295-87-7Boc-2-amino-3,4-dimethylbenzoic acid2-((tert-Butoxycarbonyl)amino)-3,4-dimethylbenzoic acid3,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid2-[(tert-butoxycarbonyl)amino]-3,4-dimethylbenzoic acid2-{[(tert-butoxy)carbonyl]amino}-3,4-dimethylbenzoic acid2-(tert-butoxycarbonylamino)-3,4-dimethyl-benzoic acidDTXSID201172812AS-92978CS-0281187G72960EN300-6487112
Show more names
F6881072-((tert-Butoxycarbonyl)amino)-3,4-dimethylbenzoicacid2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,4-dimethylbenzoic acidBenzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3,4-dimethyl-
Database identifiers
- CAS
1185295-87-7- PubChem CID
- 46737331
- DTXSID
DTXSID201172812
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 359 · 359.0±42.0 °C(Predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.96 · 3.96±0.36(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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