CAS
91165-61-6 Purity
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91165-61-6 Purity
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2-(n Hydrochloriden-dimethyl-N-propargylammonium)-1-bromoethane bromide
CAS
911678-16-5
Catalog Number
ACM911678165
Category
Other Products
Molecular Weight
270.99
Molecular Formula
C7H13Br2N
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Specification
Synonyms
N-(2-Bromoethyl)-N,N-dimethyl-2-propyn-1-aminium Bromide
IUPAC Name
2-bromoethyl-dimethyl-prop-2-ynylazanium;bromide
SMILES
C[N+](C)(CCBr)CC#C.[Br-]
InChI Key
XCVHBSJVDXVDPH-UHFFFAOYSA-M
Appearance
Brown Solid
Exact Mass
268.94100
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C7H13Br2N.
What is the molecular weight of the compound?
The molecular weight of the compound is 270.99 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-bromoethyl-dimethyl-prop-2-ynylazanium;bromide.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C7H13BrN.BrH/c1-4-6-9(2,3)7-5-8;/h1H, 5-7H2,2-3H3;1H/q+1;/p-1.
What is the InChIKey of the compound?
The InChIKey of the compound is XCVHBSJVDXVDPH-UHFFFAOYSA-M.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is C[N+](C)(CCBr)CC#C.[Br-].
What is the CAS number of the compound?
The CAS number of the compound is 911678-16-5.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 0.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 1.
What is the rotatable bond count of the compound?
The rotatable bond count of the compound is 3.
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