Name: Name:CAFFEINE-D3 (1-METHYL-D3)
Brand: Angene
SKU: AG00BEJZ
Rating: 90 (10 reviews)

CAFFEINE-D3 (1-METHYL-D3)

CAS No.:

26351-03-1

Catalog Number:

AG00BEJZ

Molecular Formula:

C8H7D3N4O2

Molecular Weight:

197.2091

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$105

- +

5mg

≥98%

1 week

United States

$179

- +

Catalog Number:

AG00BEJZ

Chemical Name:

CAFFEINE-D3 (1-METHYL-D3)

CAS Number:

26351-03-1

Molecular Formula:

C8H7D3N4O2

Molecular Weight:

197.2091

MDL Number:

MFCD06656357

IUPAC Name:

3,7-dimethyl-1-(trideuteriomethyl)purine-2,6-dione

InChI:

InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i3D3

InChI Key:

RYYVLZVUVIJVGH-HPRDVNIFSA-N

SMILES:

O=c1n(C)c2ncn(c2c(=O)n1C([2H])([2H])[2H])C

Complexity:

293

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.212g/mol

Monoisotopic Mass:

197.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1