Basic information
- CAS
3530-15-2- Standard SMILES
Cc1nnc(C)n1N- InChIKey
MIIKMZAVLKMOFM-UHFFFAOYSA-N- Molecular formula
- C4H8N4
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.07489627
Names & identifiers
- Preferred name
- 4-Amino-3,5-dimethyl-1,2,4-triazole
- IUPAC
- 3,5-dimethyl-1,2,4-triazol-4-amine
- English name
- 4-Amino-3,5-dimethyl-1,2,4-triazole
- Molecular formula
- C4H8N4
- Molecular weight
- 112.13
Names & synonyms
3530-15-24-Amino-3,5-dimethyl-1,2,4-triazoleRefChem:10702493,5-Dimethyl-4H-1,2,4-triazol-4-amine3,5-dimethyl-1,2,4-triazol-4-amineMFCD000516474H-1,2,4-Triazol-4-amine, 3,5-dimethyl-dimethyl-4H-1,2,4-triazol-4-amine4-amino-3,5-dimethyl-4h-1,2,4-triazole3,5-dimethyl-1,2,4-triazole-4-ylamineNSC34805MLS001005681
Show more names
AKOS B006593AKOS BC-0853AKOS BBS-00004108TIMTEC-BB SBB0000413,5-DIMETHYL-1,2,4-TRIAZOL-4-YLAMINE3,5-Dimethyl-4-amino-4H-1,2,4-triazole
CHEMBL324852SCHEMBL1550829SCHEMBL2812623SCHEMBL2812624DTXSID00281998HMS2720D03ALBB-010238NSC23773
Database identifiers
- CAS
3530-15-2- PubChem CID
- 229800
- DTXSID
DTXSID00281998- ChEMBL
CHEMBL324852- EC Number
- 651-219-9
- Nikkaji
- J32.409D
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.1
Experimental & physicochemical properties
Solubility10.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 196 · 196-199°C
- Boiling point
- 300.7 · 300.7±25.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 4.25 · 4.25±0.10(Predicted)
- BRN
- 115482 · 115482
- CAS DataBase Reference
- 3530 · 3530-15-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
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 42 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
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers22 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
骓慕化学（天津）有限公司13116033143 17602663561 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…