CAS 640767-75-5 4-Methyl-2-propoxyaniline (HCID 24698653)

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Basic information

CAS: 640767-75-5
Standard SMILES: CCCOc1cc(C)ccc1N
InChIKey: VMVPRSFHXUPUEM-UHFFFAOYSA-N
Molecular formula: C10H15NO
Average molar mass: 165.23 g/mol
Monoisotopic mass: 165.1153641

Names & identifiers

Preferred name: 4-Methyl-2-propoxyaniline
IUPAC: 4-methyl-2-propoxyaniline
English name: Benzenamine, 4-methyl-2-propoxy- (9CI)
Molecular formula: C10H15NO
Molecular weight: 165.23

Names & synonyms

4-methyl-2-propoxyaniline640767-75-5Benzenamine, 4-methyl-2-propoxy- (9CI)MFCD086883764-methyl-2-propoxy-aniline7269AESCHEMBL1341908DTXSID00640824VMVPRSFHXUPUEM-UHFFFAOYSA-NBBL019268STL199558AKOS000180693

Show more names

Benzenamine, 4-methyl-2-propoxy-

EN300-45574Z295458030

Database identifiers

CAS: 640767-75-5
PubChem CID: 24698653
DTXSID: DTXSID00640824
EC Number: 156-684-7

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 270.8 · 270.8±20.0 °C(Predicted)
Density: 1.001 · 1.001±0.06 g/cm3(Predicted)
pka: 5.3 · 5.30±0.10(Predicted)

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.