CAS
94-45-1 Purity
MP 161-163deg
94-45-1 Purity
MP 161-163deg
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(S)-Bethanechol
CAS
944538-50-5
Catalog Number
ACM944538505
Category
Other Products
Molecular Weight
196.68
Molecular Formula
C7H17ClN2O2
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Specification
Synonyms
(2S)-2-[(Aminocarbonyl)oxy]-N,N,N-trimethyl-1propanaminium Chloride;
IUPAC Name
[(2S)-2-carbamoyloxypropyl]-trimethylazanium;chloride
Canonical SMILES
CC(C[N+](C)(C)C)OC(=O)N.[Cl-]
InChI Key
XXRMYXBSBOVVBH-RGMNGODLSA-N
Exact Mass
195.10300
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of (S)-bethanechol?
The molecular formula of (S)-bethanechol is C7H17ClN2O2.
What is the molecular weight of (S)-bethanechol?
The molecular weight of (S)-bethanechol is 196.67 g/mol.
What is the IUPAC name of (S)-bethanechol?
The IUPAC name of (S)-bethanechol is [(2S)-2-carbamoyloxypropyl]-trimethylazanium;chloride.
What is the InChI of (S)-bethanechol?
The InChI of (S)-bethanechol is InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H/t6-;/m0./s1.
What is the molecular weight calculated by PubChem?
The molecular weight is 196.67 g/mol and it was computed by PubChem.
How many hydrogen bond donor counts does (S)-bethanechol have?
(S)-Bethanechol has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does (S)-bethanechol have?
(S)-Bethanechol has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does (S)-bethanechol have?
(S)-Bethanechol has 4 rotatable bond counts.
What is the exact mass of (S)-bethanechol?
The exact mass of (S)-bethanechol is 196.0978555 g/mol.
Is (S)-bethanechol canonicalized?
Yes, (S)-bethanechol is canonicalized according to PubChem.
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