Basic information
- CAS
300690-74-8- Standard SMILES
Cc1cc2c(N)cccc2nn1- InChIKey
HOJQDQQMHMVETF-UHFFFAOYSA-N- Molecular formula
- C9H9N3
- Average molar mass
- 159.19 g/mol
- Monoisotopic mass
- 159.0796473
Names & identifiers
- Preferred name
- 3-Methylcinnolin-5-amine
- IUPAC
- 3-methylcinnolin-5-amine
- English name
- 3-Methylcinnolin-5-amine
- Molecular formula
- C9H9N3
- Molecular weight
- 159.19
Names & synonyms
3-methylcinnolin-5-amine300690-74-8DTXSID70415485RefChem:281084DTXCID003663355-Cinnolinamine, 3-methyl-5-Amino-3-methylcinnoline3-methyl-5-cinnolinamineMFCD00466524MLS0001051933-Methyl-cinnolin-5-ylamineSMR000055122
Show more names
cinnoLin-5-amineCHEMBRDG-BB 52564043-methylcinnolin-5-amine(SALTDATA: FREE)[(5-Aminopentyl)oxy](tert-butyl)dimethylsilane[(5-Aminopentyl)oxy](tert-butyl)dimethylsilane - [A8909]
3-methylcinnoline-5-ylamineA1KEVMaybridge1_006688Cambridge id 5256404Oprea1_164420Oprea1_165495(3-methylcinnolin-5-yl)amineorb3029819
Database identifiers
- CAS
300690-74-8- PubChem CID
- 5310645
- DTXSID
DTXSID70415485- ChEMBL
CHEMBL1523317- EC Number
- 803-544-4
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 189 · 189-191°C
- Boiling point
- 361.6 · 361.6±34.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.45 · 3.45±0.10(Predicted)
- form
- solid
- color
- Very dark yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302+H312+H332
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H315-H302+H312+H332
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers13 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
广州康瑞泰药业有限公司020-82185713,82185709 13418171485 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海宏合医药科技有限公司18352536981
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
Related reactions
11 records
Compound notes
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