Basic information
- CAS
22819-07-4- Standard SMILES
Nc1n[nH]c(Cc2ccccc2)n1- InChIKey
QGLMSZQOJZAPSZ-UHFFFAOYSA-N- Molecular formula
- C9H10N4
- Average molar mass
- 174.207 g/mol
- Monoisotopic mass
- 174.09054632
Names & identifiers
- Preferred name
- 5-benzyl-1H-1,2,4-triazol-3-amine
- IUPAC
- 5-Benzyl-1H-1,2,4-triazol-3-amine
- English name
- 3-Amino-5-benzyl-4H-1,2,4-triazole
- Molecular formula
- C9H10N4
- Molecular weight
- 174.2
Names & synonyms
5-benzyl-4H-14-triazol-3-aMine3-Amino-5-benzyl-4H-1,25-Benzyl-1,2,4-triazol-3-amine5-Benzyl-4H-1,2,4-triazol-3-amine3-Amino-5-benzyl-1H-1,2,4-triazole3-Amino-5-benzyl-4H-1,2,4-triazole(5-BENZYL-4H-1,2,4-TRIAZOLE-3-YL)AMINE5-(phenylmethyl)-1H-1,2,4-triazol-3-amine1H-1,2,4-Triazol-3-aMine, 5-(phenylMethyl)-
Database identifiers
- CAS
22819-07-4- PubChem CID
- 1116697
- DTXSID
DTXSID40360478- EC Number
- 671-508-3
- Nikkaji
- J39.085B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 171 °C · 171 °C
- Boiling point
- 435.2 · 435.2±38.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 11.62 · 11.62±0.40(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2933998090 · 2933998090
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses5-Benzyl-4H-1,2,4-triazol-3-amine can be used as positive modulators of GABAA1 receptor with potent anticonvulsant activity and low toxicity.
Suppliers34 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Related reactions
6 records
Compound notes
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