CAS 386704-11-6 1-(3-Isopropoxyphenyl)methanamine (HCID 2760935)

Substructure search Find similar structures

Basic information

CAS: 386704-11-6
Standard SMILES: CC(C)Oc1cccc(CN)c1
InChIKey: YRNFZPXUBVUYBJ-UHFFFAOYSA-N
Molecular formula: C10H15NO
Average molar mass: 165.23 g/mol
Monoisotopic mass: 165.1153641

Names & identifiers

Preferred name: 1-(3-Isopropoxyphenyl)methanamine
IUPAC: (3-propan-2-yloxyphenyl)methanamine
English name: 1-(3-Isopropoxyphenyl)methanamine
Molecular formula: C10H15NO
Molecular weight: 165.23

Names & synonyms

1-(3-Isopropoxyphenyl)methanamineRefChem:423925811-364-2(3-isopropoxyphenyl)methanamine400771-44-0(3-isopropoxybenzyl)amineMFCD04037891(3-propan-2-yloxyphenyl)methanamine[3-(propan-2-yloxy)phenyl]methanamine3-Isopropoxybenzyl AmineBenzenemethanamine, 3-(1-methylethoxy)-3-Isopropoxybenzylamine

Show more names

3-Isopropoxybenzylamine 95+%3-(Isopropoxy)benzenemethanamine(3-isopropoxyphenyl)methanamine HCl3-(1-Methylethoxy)benzenemethanamine(3-isopropoxybenzyl)amine(SALTDATA: FREE){3-[(Prop-2-yl)oxy]phenyl}methylamine, 3-(Aminomethyl)phenyl isopropyl ether

[3-(methylethoxy)phenyl]methylamine(3-iso-propoxy)benzyl amine1-[3-(propan-2-yloxy)phenyl]methanamine3-(isopropoxy)benzylamine3-isopropoxyphenylmethanamineSCHEMBL756850SCHEMBL1768209CHEMBL4590692

Database identifiers

CAS: 386704-11-6、400771-44-0
PubChem CID: 2760935
DTXSID: DTXSID00959509
ChEMBL: CHEMBL4590692
EC Number: 811-364-2

Properties

Computed structural properties

XLogP: 2.2
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: 125

Physicochemical properties

Boiling point: 70 ℃/0.05mm · 70℃/0.05mm
Density: 0.99 · 0.990±0.06 g/cm3(Predicted)
pka: 9.12 · 9.12±0.10(Predicted)
form: oil
color: Clear, colourless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
RIDADR: 2735 · UN2735
HazardClass: 8 · 8
HS Code: 2921290090 · 2921290090
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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.