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N-Methyl-1-naphthylamine

HCID 16667
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2216-68-4
Standard SMILES
CNc1cccc2ccccc12
InChIKey
AKEYUWUEAXIBTF-UHFFFAOYSA-N
Molecular formula
C11H11N
Average molar mass
157.21 g/mol
Monoisotopic mass
157.08914935

Names & identifiers

Preferred name
N-Methyl-1-naphthylamine
IUPAC
N-methylnaphthalen-1-amine
English name
N-Methyl-N-1-naphthylamine
Molecular formula
C11H11N
Molecular weight
157.21

Names & synonyms

2216-68-4N-Methyl-1-naphthylamine1-Naphthalenamine, N-methyl-1-Methylaminonaphthalene1-Naphthylamine, N-methylN-Methyl-1-naphthalenamineN-Methyl-1-naftylaminN-Methyl-alpha-naphthylamineN-Methyl-.alpha.-naphthylamineGBT9LV0NVRN-Methyl-1-naftylamin [Czech]1-NAPHTHYLAMINE, N-METHYL-
Show more names
NSC9412methyl(1-naphthyl)amineN-Methyl-N-1-naphthylamineN-methylnaphthalene-1-amineMETHYL-NAPHTHALEN-1-YL-AMINE
NSC 9412EINECS 218-695-6BRN 0508492UNII-GBT9LV0NVRNSC-9412n-methyl-n-(1-naphthyl)amineDTXSID00622621-(METHYLAMINO)NAPHTHALENE

Database identifiers

CAS
2216-68-4
PubChem CID
16667
DTXSID
DTXSID0062262
UNII
GBT9LV0NVR
EC Number
218-695-6
Nikkaji
J54.248B

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
144

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient
LogP2.88

Physicochemical properties

Melting point
174 °C · 174°C
Boiling point
271.88 °C · 271.88°C (rough estimate)
Density
1.0595 · 1.0595 (rough estimate)
refractive index
1.6722 · 1.6722 (estimate)
storage temp.
2 · 2-8°C(protect from light)
pka
3.67 · 3.67(at 27℃)
Appearance
Light brown to brown Liquid
InChI
InChI=1S/C11H11N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3
InChIKey
AKEYUWUEAXIBTF-UHFFFAOYSA-N
SMILES
C1(NC)=C2C(C=CC=C2)=CC=C1
FDA UNII
9 LV0NVR · GBT9LV0NVR

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed
hs_code
2921490090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Naphthalenamine, N-methyl-: INACTIVE

Upstream & downstream products

Upstream raw materials

(R)-(+)-N-Methyl-1-(1-naphthyl)ethylamine

Suppliers

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Related reactions

4 records
New reaction record
HRID 89727 reaction equation
HRID 89727As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 436377 reaction equation
HRID 436377As reactantuspto-grants-1977_02
HRID 667538 reaction equation
HRID 667538As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1005496 reaction equation
HRID 1005496As productuspto-grants-2000_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
EPA Substance Registry System
1 · 1-Naphthalenamine, N-methyl- (2216-68-4)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
TSCA
TSCA listed
HS Code
2921490090 · 2921490090