CAS 35100-92-6 1,5-dimethyl-1H-pyrazol-3-amine (HCID 7017747)

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Basic information

CAS: 35100-92-6
Standard SMILES: Cc1cc(N)nn1C
InChIKey: YGRLFMMSIGPOOI-UHFFFAOYSA-N
Molecular formula: C5H9N3
Average molar mass: 111.15 g/mol
Monoisotopic mass: 111.07964729

Names & identifiers

Preferred name: 1,5-dimethyl-1H-pyrazol-3-amine
IUPAC: 1,5-dimethylpyrazol-3-amine
English name: 3-Amino-1,5-dimethylpyrazole
Molecular formula: C5H9N3
Molecular weight: 111.15

Names & synonyms

1,5-dimethyl-1H-pyrazol-3-amine35100-92-6DTXSID60426904RefChem:221314DTXCID90377738812-613-81,5-Dimethyl-1H-pyrazol-3-ylamine1,5-dimethylpyrazol-3-amine3-AMINO-1,5-DIMETHYLPYRAZOLEMFCD049700411H-Pyrazol-3-amine, 1,5-dimethyl-SCHEMBL174459

Show more names

1,5-dimethyl-3-pyrazolamine(1,5-dimethylpyrazol-3-yl)amine3-Amino-1,5-dimethyl-1H-pyrazole1,5-Dimethyl-1H-Pyrazol-3-Ylamine(WX609107)

1,5-dimethylpyrazole-3-ylamine1,5-Dimethyl-1H-pyrazole-3-ylamine3-amino-1,5-dimethyl pyra3-amino-1,5-dimethyl pyrazoleYGRLFMMSIGPOOI-UHFFFAOYSA-NALBB-0125341,5-dimethyl-3-amino-1H-pyrazoleSBB009548

Database identifiers

CAS: 35100-92-6
PubChem CID: 7017747
DTXSID: DTXSID60426904
EC Number: 812-613-8

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 83.7

Physicochemical properties

Melting point: 65 · 65-68 ºC
Boiling point: 235 · 235 ºC
Density: 1.17 · 1.17
Flash point: 96 · 96 ºC
storage temp.: 2 · 2-8°C(protect from light)
form: solid
pka: 4.17 · 4.17±0.11(Predicted)
color: yellow
InChI: InChI=1S/C5H9N3/c1-4-3-5(6)7-8(4)2/h3H,1-2H3,(H2,6,7)
InChIKey: YGRLFMMSIGPOOI-UHFFFAOYSA-N
SMILES: N1(C)C(C)=CC(N)=N1
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 315 · H315-H319-H360
Precautionary statements: 501 · P501-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405
Risk Statements: 20 · 20/21/22

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 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: 29331990
risk_code: 20/21/22
Signal word: Danger
Symbol(GHS): GHS07,GHS08
safety_code: 3/9-36/37
hazard_class: IRRITANT
Hazard statements: H315-H319-H360
Precautionary statements: P501-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405