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TAME Hydrochloride

CAT: 0862-GM4942-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0862-GM4942-5gSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1784-03-8
EC Number
217-235-1
MDL Number
MFCD00012578
HS Code
29350090
Purity
98.00%
Molecular Formula
C14H22N4O4S · HCl
Molecular Weight
378.87
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

L-Arginine, N2-((4-methylphenyl)sulfonyl)-, methyl ester, hydrochloride (1:1)

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CAS Number1784-03-8
PubChem CID2723792
IUPAC Namemethyl (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate;hydrochloride
Molecular FormulaC14H23ClN4O4S
Molecular Weight378.9
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity503
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)OC.Cl
InChI
InChI=1S/C14H22N4O4S.ClH/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16;/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17);1H/t12-;/m0./s1
InChIKey
JIQFFACVQXXHMY-YDALLXLXSA-N
Chemical Structure
2D Structure
2D structure of L-Arginine, N2-((4-methylphenyl)sulfonyl)-, methyl ester, hydrochloride (1:1)
CAS: 1784-03-8
CID: 2723792
Formula: C14H23ClN4O4S
MW: 378.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight378.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass378.1128541
Monoisotopic Mass378.1128541
Topological Polar Surface Area145 Ų
Heavy Atom Count24
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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