CAS 22009-40-1 7-Amino-1,2,3,4-tetrahydronaphthalen-1-one (HCID 327177)

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Basic information

CAS: 22009-40-1
Standard SMILES: Nc1ccc2c(c1)C(=O)CCC2
InChIKey: IDNLVJHOEZJNHW-UHFFFAOYSA-N
Molecular formula: C10H11NO
Average molar mass: 161.2 g/mol
Monoisotopic mass: 161.08406397

Names & identifiers

Preferred name: 7-Amino-1,2,3,4-tetrahydronaphthalen-1-one
IUPAC: 7-amino-3,4-dihydro-2H-naphthalen-1-one
English name: 7-AMINO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
Molecular formula: C10H11NO
Molecular weight: 161.2

Names & synonyms

7-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONERefChem:545322696-582-422009-40-17-amino-3,4-dihydronaphthalen-1(2h)-one7-amino-1-tetralone7-Amino-alpha-tetralone7-amino-3,4-dihydro-2H-naphthalen-1-oneMFCD073698177-amino-3,4-dihydro-1(2h)-naphthalenone7-aminotetralone7-amino-tetralone

Show more names

7-Amino-α-tetralone7-Amino-a-tetralone7-Amino-3,4-dihydronaphthalen-2(1H)-one7-Amino-alpha-tetralone, CAS 22009-40-11(2H)-Naphthalenone, 7-amino-3,4-dihydro-

NSC301173SCHEMBL656011MLS003115755XAA009407-amino-alpha-tetralone, AldrichCPRNSC-301173AC-7191SMR001831323

Database identifiers

CAS: 22009-40-1
PubChem CID: 327177
DTXSID: DTXSID00316234
ChEMBL: CHEMBL2141304
EC Number: 696-582-4

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 190

Physicochemical properties

Melting point: 140 ℃ · 140℃
Boiling point: 346.5 · 346.5±31.0 °C(Predicted)
Density: 1.193 · 1.193±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Crystalline Powder
pka: 3.92 · 3.92±0.20(Predicted)
color: Yellow to brown
InChI: 1S/C10H11NO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3,11H2
InChIKey: IDNLVJHOEZJNHW-UHFFFAOYSA-N
SMILES: Nc1ccc2CCCC(=O)c2c1
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)

Safety data

wgk: WGK 3
hs_code: 2921450090
risk_code: 36/38-25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 22-26-36/37/39-45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H315-H319-H335
Hazard Classifications