9-Aminoanthracene

HCID 13069

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Substructure search Find similar structures

Basic information

CAS: 779-03-3
Standard SMILES: Nc1c2ccccc2cc2ccccc12
InChIKey: LHNICELDCMPPDE-UHFFFAOYSA-N
Molecular formula: C14H11N
Average molar mass: 193.24 g/mol
Monoisotopic mass: 193.08914936

Names & identifiers

Preferred name: 9-Aminoanthracene
IUPAC: anthracen-9-amine
English name: 9-Anthrylamine
Molecular formula: C14H11N
Molecular weight: 193.24

Names & synonyms

9-Aminoanthracene779-03-39-Anthracenamine9-ANTHRAMINE10-AnthracylamineE3EA4FE3SXNSC-125517DTXSID60228526RefChem:107744DTXCID10151017811-778-3anthracen-9-amine

Show more names

9-anthrylamine5-AminoanthraceneMFCD00452690CCRIS 7001NSC 125517BRN 22094059-aminoanthracen10-Anthracylamine; 5-Aminoanthracene; 9-Aminoanthracene; NSC 125517; NSC 155202

Database identifiers

CAS: 779-03-3
PubChem CID: 13069
DTXSID: DTXSID60228526
ChEMBL: CHEMBL82266
ChEBI: CHEBI:50472
UNII: E3EA4FE3SX
EC Number: 811-778-3
Nikkaji: J60.454B

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 203

Experimental & physicochemical properties

Kovats Retention Index363.91

Physicochemical properties

Melting point: 170 °C · 170°C(lit.)
Boiling point: 402.2 · 402.2±14.0 °C(Predicted)
Density: 1.208 · 1.208±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 4.21 · 4.21±0.30(Predicted)
color: Very Dark Red to Very Dark Brown
EWG's Food Scores: 1 · 1
FDA UNII: 3 EA4FE3SX · E3EA4FE3SX
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
RTECS: 2279000 · CB2279000
HS Code: 2933.99 · 2933.99.8290
Toxicity: 2 mLg/plate · mic-sat 2 mLg/plate ENMUDM 6,497,1984

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

rtecs: CB2279000
hs_code: 2933.99.8290
Toxicity: mic-sat 2 mLg/plate ENMUDM 6,497,1984
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362