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519-41-5
可可碱
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1. Identification
2. ChemicalProperties
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Name
可可碱
pro_formula
C7 H8 N4 O2
pro_molWeight
180.166
pro_cdbregno
CCD00018788
CAS
519-41-5
MDL
MFCD00022830
1
Identification
【Name】
可可碱
【CAS】
83-67-0 ;
519-41-5
【MDL】
MFCD00022830
【中文同义词】
3,7-二甲基黄嘌呤
可可碱
3,7-二氢-3,7-二甲基-1H-嘌呤-2,6-二酮
咖啡碱
【EnglishSynonyms】
THEOBROMINE, 99%
3,7-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
TEOBROMIN
THEOSTENE
3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
3,7-DIMETHYL-1,3,7-TRIHYDROPURINE-2,6-DIONE
THESAL
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-
3,7-DIMETHYLXANTHINE
3,7-DIMETHYLPURINE-2,6-DIONE
SANTHEOSE
DIUROBROMINE
3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
THESODATE
THEOBROMINE
3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE
THEOSALVOSE
2,6-DIHYDROXY-3,7-DIMETHYL-PURINE
3,7-DIMETHYL-1H-PURINE-2,6(3H,7H)-DIONE
【pro_formula】
C7 H8 N4 O2
【pro_molWeight】
180.166
【Inchi】
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
【InChIKey】
InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
【SMILES】
Cn1cnc2c1c(=O)[nH]c(=O)n2C
【MOL File】
可可碱.mol
2
ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:FB
3
MaterialMSDS
ALFA AESAR, AVOCADO, LANCASTER :
可可碱
TCI (Shanghai) Development Co., Ltd. :
可可碱
【secure_infosecure_symbol】
GHS07
【secure_signal_word】
Warning
【secure_risk_stmt】
H302
【secure_damage_code】
Xn
【secure_risk_disclosure_stmt】
22
【secure_wgk_germany】
1
4
CMLFile
可可碱.cml
quick_release
SuppliersList
科邦特化学有限公司
pro_catalogNo:
9693
1 G
pro_catalogNo:
9693
5 G
pro_catalogNo:
9693
10 G
pro_catalogNo:
9693
25 G
CountryRegion:CN
BusinessType:Manufacturer
https://www.capotchem.com
上海沸点化学科技有限公司
pro_catalogNo:
HB-827
25G
pro_catalogNo:
HB-827
100G
pro_catalogNo:
HB-827
500G
pro_catalogNo:
HB-827
1kg
CountryRegion:CN
BusinessType:Laboratory
http://www.heat-biochem.com
Sigma-Aldrich Corporation
pro_catalogNo:
S429112-1G
1G
CountryRegion:US
BusinessType:ReagentCompany
http://www.sigma-aldrich.com
labseeker co.,ltd
pro_catalogNo:
SC-06911
10g
CountryRegion:CN
BusinessType:Laboratory
http://www.labseeker.com
上海昶衍化工科技有限公司
pro_catalogNo:
CY07012
10
pro_catalogNo:
CY07012
up to kgs
CountryRegion:CN
BusinessType:Laboratory
http://www.changyanchem.com
More 519-41-5 select_supply
>>
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849068-61-7
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