CAS 5302-79-4 7-Methoxynaphthalen-1-amine (HCID 235817)

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Basic information

CAS: 5302-79-4
Standard SMILES: COc1ccc2cccc(N)c2c1
InChIKey: PYPBAWHTDYSLKJ-UHFFFAOYSA-N
Molecular formula: C11H11NO
Average molar mass: 173.21 g/mol
Monoisotopic mass: 173.08406397

Names & identifiers

Preferred name: 7-Methoxynaphthalen-1-amine
IUPAC: 7-methoxynaphthalen-1-amine
English name: 7-Methoxynaphthalen-1-amine
Molecular formula: C11H11NO
Molecular weight: 173.21

Names & synonyms

7-methoxynaphthalen-1-amineDTXSID30284538RefChem:546731DTXCID10235689870-458-15302-79-47-methoxy-1-naphthalenamine1-AMINO-7-METHOXYNAPHTHALENEMFCD082720737-methoxy-1-naphthylamineNSC375707-methoxynaphthylamine

Show more names

1-NaphthalenaMine, 7-Methoxy-

SCHEMBL2497177-methoxy-naphthalen-1-ylamineSCHEMBL1805927SCHEMBL29792825naphthalene, 1-amino-7-methoxy-PYPBAWHTDYSLKJ-UHFFFAOYSA-N(7-methoxy-naphthalen-1-yl)-amineALBB-033453

Database identifiers

CAS: 5302-79-4
PubChem CID: 235817
DTXSID: DTXSID30284538
EC Number: 870-458-1
Nikkaji: J3.458.298J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 171

Physicochemical properties

storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Appearance: Light brown to brown Solid
InChI: InChI=1S/C11H11NO/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h2-7H,12H2,1H3
InChIKey: PYPBAWHTDYSLKJ-UHFFFAOYSA-N
SMILES: C1(N)=C2C(C=CC(OC)=C2)=CC=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H335-H319-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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.

Hazard information

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

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H335-H319-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P