1-Methyl-1,2,3,4-tetrahydroquinoxaline

HCID 215850

Notes Reactions

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Basic information

CAS: 36438-97-8
Standard SMILES: CN1CCNc2ccccc21
InChIKey: SXLZJUPRTINRQQ-UHFFFAOYSA-N
Molecular formula: C9H12N2
Average molar mass: 148.2 g/mol
Monoisotopic mass: 148.10004839

Names & identifiers

Preferred name: 1-Methyl-1,2,3,4-tetrahydroquinoxaline
IUPAC: 4-methyl-2,3-dihydro-1H-quinoxaline
English name: 1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE
Molecular formula: C9H12N2
Molecular weight: 148.21

Names & synonyms

1-methyl-1,2,3,4-tetrahydroquinoxaline36438-97-8DTXSID70957774RefChem:433661DTXCID001385702805-460-34-methyl-2,3-dihydro-1H-quinoxalineMFCD01684957BRN 0131438Quinoxaline, 1,2,3,4-tetrahydro-1-methyl-Quinoxaline, 1,2,3,4-tetrahydro-4-methyl-Quinoxaline, 1-methyl-1,2,3,4-tetrahydro-

Show more names

1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE1-Methyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride, 95+%4-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine dihydrochloride1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE ISO 9001：2015 REACH

1-methyl-1,2,3,4-tetrahydro-quinoxalineSCHEMBL305967SCHEMBL6198063SCHEMBL6198065CHEMBL5185429SCHEMBL18228459SCHEMBL28833094SCHEMBL30463209

Database identifiers

CAS: 36438-97-8
PubChem CID: 215850
DTXSID: DTXSID70957774
ChEMBL: CHEMBL5185429
EC Number: 805-460-3
Nikkaji: J48.375C

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 40.5 · 40.5-42℃
Boiling point: 163 · 163-169 °C(Press: 21 Torr)
Density: 1.033 · 1.033±0.06 g/cm3(Predicted)
pka: 7.41 · 7.41±0.20(Predicted)
CAS DataBase Reference: 36438 · 36438-97-8
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362