CAS
98510-87-3 Purity
96%
98510-87-3 Purity
96%
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cis-2-Benzylaminomethyl-1-cycloheptanol hydrochloride
CAS
98516-19-9
Catalog Number
ACM98516199
Category
Other Products
Molecular Weight
269.81
Molecular Formula
C15H23NO.HCl
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Specification
Synonyms
cis-2-Benzylaminomethyl-1-cycloheptanol hydrochloride
IUPAC Name
benzyl-[[(1S,2S)-2-hydroxycycloheptyl]methyl]azanium
Canonical SMILES
C1CCC(C(CC1)O)CNCC2=CC=CC=C2.Cl
InChI Key
MZZVUVBTOHLLKV-GJZGRUSLSA-O
Boiling Point
364ºC at 760mmHg
Melting Point
133-135ºC
Flash Point
102.8ºC
Exact Mass
269.15500
H-Bond Acceptor
1
H-Bond Donor
2
Physical Description
cis-2-Benzylaminomethyl-1-cycloheptanol hydrochloride 98% (1g)
Safety Description
24/25
What is the molecular formula of cis-2-Benzylaminomethyl-1-cycloheptanol hydrochloride?
The molecular formula is C15H24ClNO.
When was PubChem CID 131701209 created?
It was created on 2017-10-28.
What is the molecular weight of cis-2-Benzylaminomethyl-1-cycloheptanol hydrochloride?
The molecular weight is 269.81 g/mol.
How many hydrogen bond donor atoms are in the compound?
There are 3 hydrogen bond donor atoms.
What is the InChI Key for cis-2-Benzylaminomethyl-1-cycloheptanol hydrochloride?
The InChI Key is ZLNIEZPCBCVYIE-YYLIZZNMSA-N.
What is the exact mass of the compound?
The exact mass is 269.1546421 g/mol.
How many rotatable bonds are in cis-2-Benzylaminomethyl-1-cycloheptanol hydrochloride?
There are 4 rotatable bonds.
What is the topological polar surface area of the compound?
The topological polar surface area is 32.3 Ų.
How many defined atom stereocenters are there in the compound?
There are 2 defined atom stereocenters.
Is cis-2-Benzylaminomethyl-1-cycloheptanol hydrochloride a canonicalized compound?
Yes, it is canonicalized.
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