Basic information
- CAS
53348-92-8- Standard SMILES
Nc1cc(=O)oc2ccccc12- InChIKey
AHZAKFLOHIRCDU-UHFFFAOYSA-N- Molecular formula
- C9H7NO2
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.04767846
Names & identifiers
- Preferred name
- 4-Aminocoumarin
- IUPAC
- 4-aminochromen-2-one
- English name
- 4-Amino-chromen-2-one
- Molecular formula
- C9H7NO2
- Molecular weight
- 161.16
Names & synonyms
4-Aminocoumarin53348-92-84-Amino-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 4-amino-Coumarin, 4-amino-SCI2054E4FDTXSID902015094-AMINO-1,2-BENZOPYRONERefChem:518215Coumarin, 4-amino-(7CI)DTXCID70124000637-289-3
Show more names
Coumarin, 4-amino- (7ci)4-Amino-chromen-2-one ,95%4-amino-2h-1-benzopyran-2-on4-amino-2H-chromen-2-one - [AC80380]
4-Amino-chromen-2-one4-amino-2H-chromen-2-one4-aminochromen-2-oneCHEMBL240482UNII-SCI2054E4FSCHEMBL4396062SCHEMBL4499932AHZAKFLOHIRCDU-UHFFFAOYSA-N
Database identifiers
- CAS
53348-92-8- PubChem CID
- 820807
- DTXSID
DTXSID90201509- ChEMBL
CHEMBL240482- UNII
- SCI2054E4F
- EC Number
- 637-289-3
- Nikkaji
- J363.003J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 161.5 · 161.5-162 °C
- Boiling point
- 338.9 · 338.9±31.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 3.45 · 3.45±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2054 E4F · SCI2054E4F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37
- HS Code
- 29322090 · 29322090
- Toxicity
- 50 · mouse,LD50,intraperitoneal,1780mg/kg (1780mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.
Safety & regulation
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 39 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
- 29322090
- Toxicity
- mouse,LD50,intraperitoneal,1780mg/kg (1780mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37
- Hazard statements
- H315-H319-H335
- 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
Suppliers16 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Aladdin Scientific[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
西氟科技有限公司0531-85906692 15588812394
江西洛特化工有限公司+8615270827708 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
天津康利欣科技有限公司18622939839
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
3 records
Compound notes
Loading…