CAS
92781-47-5 Purity
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92781-47-5 Purity
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![Benzenamine,N-methyl-2-nitro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-](https://resource.alfa-chemistry.com/structure/927880-88-4.gif)
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Butanoic acid,3,4-diamino-4-oxo-,1,1-dimethylethyl ester,monohydrochloride,(S)-(9ci)
CAS
92786-68-0
Catalog Number
ACM92786680
Category
Other Products
Molecular Weight
224.69
Molecular Formula
C8H16N2O3·HCl
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Specification
Synonyms
H-ASP(OTBU)-NH2 HCL, 92786-68-0, BP-10803
IUPAC Name
tert-butyl (3S)-3,4-diamino-4-oxobutanoate;hydrochloride
Canonical SMILES
CC(C)(C)OC(=O)CC(C(=O)N)N.Cl
InChI Key
MGCQDVMGXZJHTN-JEDNCBNOSA-N
Exact Mass
224.09300
H-Bond Acceptor
4
H-Bond Donor
3
What is the IUPAC name of the compound?
The IUPAC name of the compound is tert-butyl (3S)-3,4-diamino-4-oxobutanoate hydrochloride.
What is the molecular formula of the compound?
The molecular formula of the compound is C8H17ClN2O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 224.68 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H16N2O3.ClH/c1-8(2,3)13-6(11)4-5(9)7(10)12;/h5H,4,9H2,1-3H3,(H2,10,12);1H/t5-;/m0./s1.
What is the CAS number of the compound?
The CAS number of the compound is 92786-68-0.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 95.4 ?2.
How many covalently-bonded unit counts does the compound have?
The compound has 2 covalently-bonded unit counts.
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CAS
927880-89-5 Purity
96%
927880-89-5 Purity
96%
