CAS 35691-16-8 2-Chloro-N,N-dimethylquinazolin-4-amine (HCID 12684342)

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Basic information

CAS: 35691-16-8
Standard SMILES: CN(C)c1nc(Cl)nc2ccccc12
InChIKey: DTTPDWSQHPZGEY-UHFFFAOYSA-N
Molecular formula: C10H10ClN3
Average molar mass: 207.66 g/mol
Monoisotopic mass: 207.056325

Names & identifiers

Preferred name: 2-Chloro-N,N-dimethylquinazolin-4-amine
IUPAC: 2-chloro-N,N-dimethylquinazolin-4-amine
English name: (2-Chloroquinazolin-4-yl)-dimethylamine
Molecular formula: C10H10ClN3
Molecular weight: 207.6595

Names & synonyms

2-Chloro-N,N-dimethylquinazolin-4-amine35691-16-8DTXSID70506822RefChem:469830DTXCID00457631887-952-8(2-Chloroquinazolin-4-yl)-dimethylamineMFCD002284184-dimethylamino-2-chloroquinazoline(2-Chloro-quinazolin-4-yl)-dimethyl-amineSCHEMBL1084629DTTPDWSQHPZGEY-UHFFFAOYSA-N

Show more names

4-Quinazolinamine, 2-chloro-N,N-dimethyl-

ALBB-031063KBA69116AKOS011765110(2-chloro-quinazolin-4-yl)-dimethylamineLS-111942-chloro-N,N-dimethyl-quinazolin-4-amineCS-0437672EN300-247350

Database identifiers

CAS: 35691-16-8
PubChem CID: 12684342
DTXSID: DTXSID70506822
EC Number: 887-952-8

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 29 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 198

Physicochemical properties

Melting point: 67 °C · 67 °C
Boiling point: 276.2 · 276.2±28.0 °C(Predicted)
Density: 1.298 · 1.298±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.44 · 4.44±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.