Basic information
- CAS
1134-82-3- Standard SMILES
Cc1cc(N)n(Cc2ccccc2)n1- InChIKey
WRHZMJSDCJXWDL-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.11094742
Names & identifiers
- Preferred name
- 1-benzyl-3-methyl-1H-pyrazol-5-amine
- IUPAC
- 2-benzyl-5-methylpyrazol-3-amine
- English name
- 2-Benzyl-5-methyl-2H-pyrazol-3-ylamine
- Molecular formula
- C11H13N3
- Molecular weight
- 187.24
Names & synonyms
1-benzyl-3-methyl-1H-pyrazol-5-amine1134-82-3DTXSID20354335RefChem:429873DTXCID50305395832-901-72-Benzyl-5-methyl-2H-pyrazol-3-ylamine2-benzyl-5-methylpyrazol-3-amine1H-Pyrazol-5-amine, 3-methyl-1-(phenylmethyl)-MFCD00463110CHEMBL5630227ALBB-006142
Show more names
TIMTEC-BB SBB004439CHEMBRDG-BB 40130801-Benzyl-3-methyl-1H-pyrazol-5-amine HCl1-benzyl-3-methyl-1H-pyrazol-5-amine Hcl salt
5-methyl-2-(phenylmethyl)pyrazol-3-amine3-methyl-1-benzylpyrazole-5-ylamine5-amino-1-benzyl-3-methylpyrazolestarbld0008926Oprea1_103158SCHEMBL1374365AKOS B024965ART-CHEM-BB B024965
Database identifiers
- CAS
1134-82-3- PubChem CID
- 769146
- DTXSID
DTXSID20354335- ChEMBL
CHEMBL5630227- EC Number
- 832-901-7
- Nikkaji
- J456.559B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 69 · 69-70 °C
- Boiling point
- 187 · 187-192 °C(Press: 8 Torr)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 4.4 · 4.40±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Suppliers19 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
成都效佳科技有限公司15902830537 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
6 records
Compound notes
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