1,3-Dimethyladamantane

HCID 12800
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Basic information

CAS
702-79-4
Standard SMILES
CC12CC3CC(C1)CC(C)(C3)C2
InChIKey
CWNOIUTVJRWADX-UHFFFAOYSA-N
Molecular formula
C12H20
Average molar mass
164.29 g/mol
Monoisotopic mass
164.15650064

Overview

1,3-dimethyladamantane is a polycyclic alkane and a member of adamantanes. It derives from a hydride of an adamantane.

Names & identifiers

Preferred name
1,3-Dimethyladamantane
IUPAC
1,3-dimethyladamantane
English name
1,3-Dimethyladamantane
Molecular formula
C12H20
Molecular weight
164.29

Names & synonyms

1,3-DIMETHYLADAMANTANE702-79-4Adamantane, 1,3-dimethyl-1,3-dimethyltricyclo[3.3.1.13,7]decane96G4OD5Z591,3-Dimethyltricyclo(3.3.1.13,7)decaneDTXSID1049439CHEBI:479001,3-dimethyltricyclo[3.3.1.1(3,7)]decane1,3-dimethyltricyclo(3.3.1.1(3,7))decaneRefChem:414687DTXCID0029399
Show more names
1,3-DIMETHYL ADAMANTINEDimethyladamantaneMeMantine Related CoMpound A1,3-Dimethyladamanta1, 3-dimethylfungane3-Dimethyl AdamantaneAdamantane Impurity AMemantine intermediate
1-3-Dimethyladamantane1,3-dimethyl adamantaneMFCD00074755Memantine USP RC A(1r,3r,5s,7s)-1,3-dimethyladamantaneTricyclo[3.3.1.1(3,7)]decane, 1,3-dimethyl-1,5-DimethyladamantaneUNII-96G4OD5Z59

Database identifiers

CAS
702-79-4
PubChem CID
12800
DTXSID
DTXSID1049439
ChEBI
CHEBI:47900
UNII
96G4OD5Z59
EC Number
211-870-8
Nikkaji
J193.069I

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point
-30 °C · -30 °C
Boiling point
201.5 °C · 201.5 °C
Density
0.886 g/mL · 0.886 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.478(lit.)
Flash point
127 °F · 127 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 6 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23627
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 1993 3/PG 3
hs_code
29021990
risk_code
10
Signal word
Warning

Chemistry & industry

Applications · 2 items

Uses1,3-Dimethyladamantane is a dimethylated adamantane derivative. Memantine impurity A. Memantine Related Compound A (1,3-Dimethyladamantane).

General Description1,3-Dimethyladamantane undergoes C-H insertion reaction with phenylchlorocarbene. It reacts with with molecular oxygen in the presence of N-hydroxyphthalimide combined with cobalt salts to yield 3,5-dimethyladamantan-1-ol and 5,7-dimethyladamantane-1,3-diol.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

Additional notes

DefinitionChEBI: 1,3-dimethyladamantane is a polycyclic alkane and a member of adamantanes. It derives from a hydride of an adamantane.

Related reactions

11 records
New reaction record

Compound notes

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