N,N-dimethyl-1-naphthylamine

HCID 6848

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Basic information

CAS: 28109-57-1
Standard SMILES: CN(C)c1cccc2ccccc12
InChIKey: AJUXDFHPVZQOGF-UHFFFAOYSA-N
Molecular formula: C12H13N
Average molar mass: 171.24 g/mol
Monoisotopic mass: 171.10479942

Names & identifiers

Preferred name: N,N-dimethyl-1-naphthylamine
IUPAC: N,N-dimethylnaphthalen-1-amine
English name: N,N-Dimethyl-1-naphthylamine
Molecular formula: C12H13N
Molecular weight: 171.24

Names & synonyms

N,N-DIMETHYL-1-NAPHTHYLAMINE86-56-6N,N-Dimethyl-1-naphthalenamine1-Naphthalenamine, N,N-dimethyl-Dimethyl-alpha-naphthylamineN,N-Dimethyl-alpha-naphthylamineNSC-8713020063I9Y0DTXSID9058941RefChem:822389DTXCID0048507201-682-4

Show more names

Dapoxetine Impurity 36Dapoxetine Impurity 971-NaphthyldimethylamineDapoxetine Impurity 1141-DimethylaminoaphthaleneN,N-DimethylnaphthylamineDimethyl(naphth-1-yl)amineα-Dimethylaminonaphthalene

N,N-dimethylnaphthalen-1-amine1-DimethylaminonaphthaleneDimethyl(1-naphthyl)amineN,N-Dimethyl-1-napthylamineMFCD000039191-(Dimethylamino)naphthalene1-Naphthylamine, N,N-dimethyl-N,N-Dimethyl-1-naftylamin

Database identifiers

CAS: 28109-57-1、86-56-6
PubChem CID: 6848
DTXSID: DTXSID9058941
ChEMBL: CHEMBL2358331
UNII: 020063I9Y0
EC Number: 201-682-4
Nikkaji: J54.256C

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 25 °C · <25 °C
Boiling point: 139 · 139-140 °C13 mm Hg(lit.)
Density: 1.042 g/mL · 1.042 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.622(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Store at RT.
pka: 4.83 · 4.83(at 25℃)
form: Liquid
color: brown
Water Solubility: insoluble
Merck: 14 · 14,3252
BRN: 1424075 · 1424075
Stability: Stable. Incompatible with strong oxidizing agents.
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C12H13N/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKey: AJUXDFHPVZQOGF-UHFFFAOYSA-N
SMILES: CN(C)c1cccc2ccccc12
CAS DataBase Reference: 86 · 86-56-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 20063 I9Y0 · 020063I9Y0
NIST Chemistry Reference: 1 · 1-Naphthalenamine, N,N-dimethyl-(86-56-6)
EPA Substance Registry System: 1 · 1-Naphthalenamine, N,N-dimethyl- (86-56-6)
UNSPSC Code: 12171500 · 12171500
NACRES: 47 · NA.47
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H411
Precautionary statements: 264 · P264-P270-P273-P301+P312-P391-P501
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,N
Risk Statements: 22 · 22-36/37/38-51/53
Safety Statements: 26 · 26-36-61-37/39-29
RIDADR: 1369 · UN 1369/2810
WGK Germany: 2 · 2
RTECS: 2825000 · QM2825000
F: 8 · 8-9
TSCA: TSCA listed
HazardClass: 9 · 9
HS Code: 29214500 · 29214500
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 2

Safety & regulation

Safety data

F: 8-9
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
rtecs: QM2825000
ridadr: UN 1369/2810
hs_code: 29214500
risk_code: 22-36/37/38-51/53
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xn,N
safety_code: 26-36-61-37/39-29
hazard_class: 9
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H411
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2
Precautionary statements: P264-P270-P273-P301+P312-P391-P501

Chemistry & industry

Applications

UsesN,N-Dimethyl-1-naphthylamine is used in the nitrate reductase test to form a red precipitate of Prontosil by reacting with a nitrite-sulfanilic acid complex. And is also used to detection and determination of nitrites.

UsesDetection and determination of nitrites.