CAS
94333-37-6 Purity
96%
94333-37-6 Purity
96%
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N,2-Diethyl-3-methylvaleramide
CAS
94333-42-3
Catalog Number
ACM94333423
Category
Other Products
Molecular Weight
171.279840 [g/mol]
Molecular Formula
C10H21NO
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Specification
Synonyms
N,2-Diethyl-3-methylvaleramide, EINECS 305-020-6, CID3024320, 94333-42-3
IUPAC Name
N,2-diethyl-3-methylpentanamide
Canonical SMILES
CCC(C)C(CC)C(=O)NCC
InChI Key
GXTTUHOVBQMJLW-UHFFFAOYSA-N
Boiling Point
244.9ºC at 760mmHg
Flash Point
140.2ºC
Density
0.855g/cm³
EC Number
305-020-6
Exact Mass
171.16200
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of N,2-Diethyl-3-methylvaleramide?
The molecular formula is C10H21NO.
What is the molecular weight of N,2-Diethyl-3-methylvaleramide?
The molecular weight is 171.28 g/mol.
What is the IUPAC name of N,2-Diethyl-3-methylvaleramide?
The IUPAC name is N,2-diethyl-3-methylpentanamide.
What is the InChI of N,2-Diethyl-3-methylvaleramide?
The InChI is InChI=1S/C10H21NO/c1-5-8(4)9(6-2)10(12)11-7-3/h8-9H,5-7H2,1-4H3,(H,11,12).
What is the InChIKey of N,2-Diethyl-3-methylvaleramide?
The InChIKey is GXTTUHOVBQMJLW-UHFFFAOYSA-N.
What is the Canonical SMILES of N,2-Diethyl-3-methylvaleramide?
The Canonical SMILES is CCC(C)C(CC)C(=O)NCC.
What is the XLogP3-AA value of N,2-Diethyl-3-methylvaleramide?
The XLogP3-AA value is 2.6.
How many hydrogen bond donor counts are there in N,2-Diethyl-3-methylvaleramide?
There is one hydrogen bond donor count.
How many rotatable bond counts are there in N,2-Diethyl-3-methylvaleramide?
There are five rotatable bond counts.
Is the compound N,2-Diethyl-3-methylvaleramide canonicalized?
Yes, the compound is canonicalized.
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