CAS 69807-81-4 (1-methyl-1H-pyrrol-2-yl)methanamine (HCID 2776207)

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Basic information

CAS: 69807-81-4
Standard SMILES: Cn1cccc1CN
InChIKey: GGCBARJYVAPZJQ-UHFFFAOYSA-N
Molecular formula: C6H10N2
Average molar mass: 110.16 g/mol
Monoisotopic mass: 110.08439832

Names & identifiers

Preferred name: (1-methyl-1H-pyrrol-2-yl)methanamine
IUPAC: (1-methylpyrrol-2-yl)methanamine
English name: (1-Methyl-1H-pyrrol-2-yl)methylamine
Molecular formula: C6H10N2
Molecular weight: 110.16

Names & synonyms

(1-Methyl-1H-pyrrol-2-yl)methanamineRefChem:392337817-750-769807-81-4(1-Methyl-1H-Pyrrol-2-Yl)Methylamine(1-methylpyrrol-2-yl)methanamine1-(1-methyl-1H-pyrrol-2-yl)methanamineMFCD026777081-(1-methyl-1H-pyrrol-2-yl)methanamine hydrochloride1H-Pyrrole-2-methanamine, 1-methyl-MFCD13857460SCHEMBL246455

Show more names

BUTTPARK 95\50-652-(AMINOMETHYL)-1-METHYLPYRROLE1-methyl-1H-Pyrrole-2-methanamine2-(Aminomethyl)-1-methyl-1H-pyrrole(1-Methyl-1H-pyrrol-2-yl)aMinoMethane

orb3029972SCHEMBL4700496DTXSID00379889(1-Methyl-2-pyrrolyl)methanamineGGCBARJYVAPZJQ-UHFFFAOYSA-NFr14532ALBB-012806BBL029743

Database identifiers

CAS: 69807-81-4
PubChem CID: 2776207
DTXSID: DTXSID00379889
EC Number: 817-750-7
Nikkaji: J934.872G

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 31 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 72.9

Physicochemical properties

Boiling point: 58 °C · 58 °C
Density: 1.03 · 1.03±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 10.24 · 10.24±0.29(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P260-P271
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 2735 · 2735
Hazard Note: Corrosive
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.