(1-methyl-1H-pyrazol-4-yl)methanamine

HCID 671225CAS 400877-05-6

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Basic information

Standard SMILES: Cn1cc(CN)cn1
InChIKey: KFTRXTSNTQSGNE-UHFFFAOYSA-N
Molecular formula: C5H9N3
Average molar mass: 111.15 g/mol
Monoisotopic mass: 111.07964729

Names & identifiers

Preferred name: (1-methyl-1H-pyrazol-4-yl)methanamine
IUPAC: (1-methylpyrazol-4-yl)methanamine
English name: 4-Aminomethyl-1-methylpyrazole
Molecular formula: C5H9N3
Molecular weight: 111.15

Names & synonyms

400877-05-6(1-methyl-1H-pyrazol-4-yl)methanamineDTXSID70350029RefChem:204609DTXCID50301099692-524-74-Aminomethyl-1-methylpyrazole(1-methylpyrazol-4-yl)methanamineC-(1-Methyl-1H-pyrazol-4-yl)-methylamine(1-methyl-1H-pyrazol-4-yl)methylamine1-(1-methyl-1H-pyrazol-4-yl)methanamineMFCD02090924

Show more names

ART-CHEM-BB B000529(1-methyl-4-pyrazolyl)methanamine

4-(Aminomethyl)-1-methylpyrazole(1-methylpyrazol-4-yl)methylamine1H-PYRAZOLE-4-METHANAMINE, 1-METHYL-AKOS PAO-0126SCHEMBL243921SCHEMBL1273683TIMTEC-BB SBB000039AKOS B000529

Database identifiers

CAS: 400877-05-6
PubChem CID: 671225
DTXSID: DTXSID70350029
EC Number: 692-524-7

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 74.1

Physicochemical properties

Boiling point: 220 °C · 220 °C
Density: 1.16 · 1.16
Flash point: 87 °C · 87 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.98 · 8.98±0.29(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

hs_code: 2933199090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313