Picolinimidamide

HCID 556504

Notes Reactions

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Basic information

CAS: 52313-50-5
Standard SMILES: N=C(N)c1ccccn1
InChIKey: KNXKVYCVGXFLES-UHFFFAOYSA-N
Molecular formula: C6H7N3
Average molar mass: 121.14 g/mol
Monoisotopic mass: 121.06399722

Names & identifiers

Preferred name: Picolinimidamide
IUPAC: pyridine-2-carboximidamide
English name: PYRIDINE-2-CARBOXAMIDINE
Molecular formula: C6H7N3
Molecular weight: 121.14

Names & synonyms

Picolinimidamide52313-50-5DTXSID50339493RefChem:863121DTXCID90290574846-287-3PYRIDINE-2-CARBOXAMIDINEpyridine-2-carboximidamideMFCD05663356picolinamidine2-Pyridinecarboximidamide2-Pyridinecarboxamidine

Show more names

Pyridinecarboximidamide2-amidinopyridinepyridine carboxamidineSCHEMBL247847SCHEMBL3250277SCHEMBL3835913SCHEMBL6280315SCHEMBL8924137

Database identifiers

CAS: 52313-50-5
PubChem CID: 556504
DTXSID: DTXSID50339493
EC Number: 846-287-3
Nikkaji: J101.097B

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 111

Physicochemical properties

Boiling point: 240.7 · 240.7±32.0 °C(Predicted)
Density: 1.22 · 1.22±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 10.68 · 10.68±0.40(Predicted)
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H318-H302-H315
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H318-H302-H315
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501