CAS 118799-24-9 (1,5-dimethyl-1H-pyrrol-2-yl)methanamine (HCID 737232)

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Basic information

CAS: 118799-24-9
Standard SMILES: Cc1ccc(CN)n1C
InChIKey: KMUHAJOXPNPERW-UHFFFAOYSA-N
Molecular formula: C7H12N2
Average molar mass: 124.18 g/mol
Monoisotopic mass: 124.10004839

Names & identifiers

Preferred name: (1,5-dimethyl-1H-pyrrol-2-yl)methanamine
IUPAC: (1,5-dimethylpyrrol-2-yl)methanamine

Names & synonyms

(1,5-Dimethyl-1H-pyrrol-2-yl)methanamineRefChem:391474638-932-0118799-24-9(1,5-dimethyl-1H-pyrrol-2-yl)methylamine(1,5-dimethylpyrrol-2-yl)methanamineMFCD02180786[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]amine1,5-Dimethyl-1H-pyrrole-2-methanamine1-(1,5-dimethyl-1H-pyrrol-2-yl)methanamine(1,5-dimethylpyrrol-2-yl)methylamine2-(Aminomethyl)-1,5-dimethyl-1H-pyrrole

Show more names

SCHEMBL241343orb3029995CHEMBL4547540KMUHAJOXPNPERW-UHFFFAOYSA-NHMS1787L07Fr14497ALBB-025062SBB012870

Database identifiers

CAS: 118799-24-9
PubChem CID: 737232
ChEMBL: CHEMBL4547540
EC Number: 638-932-0

Properties

Computed structural propertiesFilling in

XLogP: 0
Topological polar surface area: 31 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 92

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.