1-Methyl-3-aminopyrazole

HCID 137254CAS 1904-31-0

Substructure search Find similar structures

Basic information

Standard SMILES: Cn1ccc(N)n1
InChIKey: MOGQNVSKBCVIPW-UHFFFAOYSA-N
Molecular formula: C4H7N3
Average molar mass: 97.12 g/mol
Monoisotopic mass: 97.06399722

Names & identifiers

Preferred name: 1-Methyl-3-aminopyrazole
IUPAC: 1-methylpyrazol-3-amine
English name: 1-Methyl-1H-pyrazol-3-amine
Molecular formula: C4H7N3
Molecular weight: 97.12

Names & synonyms

1-methyl-1H-pyrazol-3-amine1904-31-01-Methyl-3-aminopyrazoleDTXSID30172522RefChem:434203DTXCID8095013639-326-93-Amino-1-methylpyrazole1-methylpyrazol-3-amine3-amino-1-methyl-1h-pyrazole1H-PYRAZOL-3-AMINE, 1-METHYL-1-Methyl-1H-pyrazol-3-ylamine

Show more names

AKOS B014443BUTTPARK 83\09-99ART-CHEM-BB B014443N-methyl-3-aminopyrazole

MFCD004663401-methylpyrazole-3-ylamine3-amino-1-methyl pyrazole3-Amino-1-methyl-pyrazole3-amino-1-methylpyrazol3-amino-1 methylpyrazoleSCHEMBL10762SCHEMBL308140

Database identifiers

CAS: 1904-31-0
PubChem CID: 137254
DTXSID: DTXSID30172522
ChEMBL: CHEMBL3219111
EC Number: 639-326-9
Nikkaji: J271.170B

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 64

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point: 93 °C · 93 °C
Density: 1.12 g/ml · 1.12g/ml
refractive index: 1.542 · 1.5420-1.5460
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: clear liquid
pka: 4.04 · 4.04±0.10(Predicted)
color: Light orange to Yellow to Green
Water Solubility: Slightly soluble in water.
Sensitive: Air Sensitive
InChI: InChI=1S/C4H7N3/c1-7-3-2-4(5)6-7/h2-3H,1H3,(H2,5,6)
InChIKey: MOGQNVSKBCVIPW-UHFFFAOYSA-N
SMILES: N1(C)C=CC(N)=N1
CAS DataBase Reference: 1904 · 1904-31-0(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1-methyl-3-aminopyrazole(1904-31-0)
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Warning
Hazard statements: 315 · H315-H319-H302-H314-H318
Precautionary statements: 305 · P305+P351+P338-P309-P310-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 2735 · UN2735
WGK Germany: 3 · WGK 3
Hazard Note: Irritant
HazardClass: 8 · 8
HS Code: 29331990 · 29331990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (70%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (70%)

Safety data

wgk: WGK 3
ridadr: UN2735
hs_code: 29331990
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS05
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 8
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H302-H314-H318
Precautionary statements: P305+P351+P338-P309-P310-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313