Basic information
- CAS
1954-96-7- Standard SMILES
CNC(=O)c1cc(N)cc(C(=O)O)c1- InChIKey
SIIWAVHOCVSSKA-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- 3-Amino-5-((methylamino)carbonyl)benzoic acid
- IUPAC
- 3-amino-5-(methylcarbamoyl)benzoic acid
- English name
- 5-Amino-N-methylisophthalamic acid
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
1954-96-73-amino-5-[(methylamino)carbonyl]benzoic acid3-Amino-5-((methylamino)carbonyl)benzoic acidEINECS 217-787-3DTXSID90173212RefChem:92919DTXCID5095703217-787-33-amino-5-(methylcarbamoyl)benzoic acid5-Amino-N-methylisophthalamic acidMAA4V8TBM3SCHEMBL9223135
Show more names
3-Amino-5-carboxy-N-methylbenzamide3-azanyl-5-(methylcarbamoyl)benzoic acid2-ethyl-N3,N4-dimethylpyrazole-3,4-dicarboxamide
SCHEMBL41982833SIIWAVHOCVSSKA-UHFFFAOYSA-NAKOS006272749DB-044905NS00026373Benzoic acid, 3-amino-5-[(methylamino)carbonyl]-
Database identifiers
- CAS
1954-96-7- PubChem CID
- 74772
- DTXSID
DTXSID90173212- UNII
- MAA4V8TBM3
- EC Number
- 217-787-3
- Nikkaji
- J199.774B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 227 · 227-230 °C
- Boiling point
- 442.7 · 442.7±40.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 4.01 · 4.01±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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
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)
Aggregated GHS information provided per 2 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 Irrit. 2 (100%)
Safety data
- hs_code
- 2922290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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