CAS
951380-42-0 Purity
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951380-42-0 Purity
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2,5-(Dimethoxy-d6)-4-chlorophenethylamine hydrochloride
CAS
951400-08-1
Catalog Number
ACM951400081
Category
Other Products
Molecular Weight
258.17
Molecular Formula
C10H9D6Cl2NO2
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Specification
Synonyms
4-Chloro-2,5-(dimethoxy-d6)benzeneethanamine
IUPAC Name
2-[4-chloro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine;hydrochloride
Canonical SMILES
COC1=CC(=C(C=C1CCN)OC)Cl.Cl
InChI Key
BKHKVQPFRTVWJY-TXHXQZCNSA-N
Appearance
Off-White Solid
Exact Mass
257.08600
H-Bond Acceptor
3
H-Bond Donor
2
What is the PubChem CID of the compound?
The PubChem CID of the compound is 46781360.
What is the molecular formula of the compound?
The molecular formula of the compound is C10H15Cl2NO2.
What is the molecular weight of the compound?
The molecular weight of the compound is 258.17 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[4-chloro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine hydrochloride.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H14ClNO2.ClH/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12;/h5-6H,3-4,12H2,1-2H3;1H/i1D3,2D3.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC1=CC(=C(C=C1CCN)OC)Cl.Cl.
What is the hydrogen bond donor count of the compound?
The compound has a hydrogen bond donor count of 2.
What is the hydrogen bond acceptor count of the compound?
The compound has a hydrogen bond acceptor count of 3.
What is the rotatable bond count of the compound?
The compound has a rotatable bond count of 4.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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