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Home> Encyclopedia > Hot Product Listed 9   > 9H-Purin-6-amine,N,N-dimethyl-
938-55-6 structure

9H-Purin-6-amine,N,N-dimethyl-

Iupac Name:N,N-dimethyl-7H-purin-6-amine
CAS No.:938-55-6
EINECS(EC#): 213-344-3
Molecular Weight:163.184
Molecular Formula:C7H9N5 (isomer)
Names and Identifiers
Synonyms

1h-purin-6-amine, n,n-dimethyl- 1H-Purin-6-amine,N,N-dimethyl- (9CI) 1h-purin-6-amine,n-dimethyl- 42c 4CH-001875 6 dmap 6-(dimethylamino)purine 6-(dimethylamino)-purine 6-(dimethylamino)purine, >=98% 6,6-dimethyladenine 649SA4S2CV 6-dimethyladenine 6-dimethylamino-9h-purine 6-dimethylaminopurine 6-dmap AC1L1F8W AC1Q3W62 AC1Q4VDM ACMC-209RNW adenine, n,n-dimethyl- Adenine, N,N-dimethyl- (8CI) adenine, n6,n6-dimethyl- Adenine, N6,N6-dimethyl-(6CI) adenine,n-dimethyl- AJ-64014 AKOS005445384 AKOS028109175 AN-48097 BVIAOQMSVZHOJM-UHFFFAOYSA-N ccris 5216 CHEBI:60281 CHEMBL407391 D3894 D-4800 dimethyladenine dimethylaminopurine (related) dimethylpurin-6-ylamine DS-6256 DTXSID20239658 einecs 213-344-3 EN300-63840 EPITOPE ID:140948 HMS1431K01 IDI1_011608 IN1217 KINOME_3442 KS-00000JRY LS-184201 LS40016 MAYBRIDGE3_000221 mfcd00005573 mfcd00079113 MOLPORT-000-141-420 MOLPORT-003-984-182 MOLPORT-006-112-688 n(6),n(6)-dimethyladenine n(6)-dimethyladenine n,n-dimethyl-1h-purin-6-amine n,n-dimethyl-6-aminopurine n,n-dimethyl-7h-purin-6-amine n,n-dimethyl-9h-purin-6-amine n,n-dimethyl-9h-purin-6-amine # n,n-dimethyladenine n,n-dimethyl-adenine n6 ,n6 -dimethyladenine n6 ,n6-dimethyladenine n6,n6 -dimethyladenine n6,n6-dimethyladenine nsc 401568 nsc401568 nsc-401568 protein kinase inhibitor, dmap pu09 purine, 6-(dimethylamino)- Purine, 6-(dimethylamino)- (7CI) purine, 6-dimethylamino RP02305 S-8202 SCHEMBL152593 ST066869 ST2407339 STK370033 STOCK3S-03876 unii-649sa4s2cv Y4770 ZINC13516321

Inchi
InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)
InChkey
BVIAOQMSVZHOJM-UHFFFAOYSA-N
Canonical Smiles
CN(C)C1=NC=NC2=C1NC=N2
Properties
Appearance
white to light yellow crystal powder
Density
1.365
Melting Point
258-263℃
Boiling Point
427.4 °C at 760 mmHg
Refractive Index
1.713
Flash Point
212.3 °C
Solubility
methanol: 0.1 g/mL, clear
Color/Form
off-white to yellow
Other physical and chemical properties
Solid
Stability
Stable under normal temperatures and pressures.
HS Code
2933990090
Storage temp
−20°C
Safety and Handling
Hazard Codes
T+
Risk Statements
R25
Safety Statements
S22;S24/25
PackingGroup
II; III
Transport
UN 2811 6
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:163.184g/mol
  • Molecular Formula:C7H9N5
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.7
  • Exact Mass:163.086
  • Monoisotopic Mass:163.086
  • Complexity:160
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:57.7A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjgAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAAQAAAACAgBFwQH8L/JkACg AQZhZACAgC2REKABUaAoVBCASABASEAUBAgIAAJAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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