CAS
9085-42-1 Purity
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9085-42-1 Purity
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Alpha-[1-(methylbenzylamino)ethyl]benzyl alcohol
CAS
90-85-7
Catalog Number
ACM90857
Category
Other Products
Molecular Weight
255.354740 [g/mol]
Molecular Formula
C17H21NO
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Specification
Synonyms
2-[benzyl(methyl)amino]-1-phenylpropan-1-ol, |A-(1-(methylbenzylamino)ethyl)benzyl alcohol, 90-85-7, alpha-(1-(Methylbenzylamino)ethyl)benzyl alcohol, ALPHA-[1-(METHYLBENZYLAMINO)ETHYL]BENZYL ALCOHOL, N-Benzyl-ephedrin, AC1L2R2M, AC1Q76ZS, AGN-PC-0CQ1E0, CTK5G8541, EINECS 202-020-7, AR-1L8461, AKOS005361184, AG-H-72854, (2R)-2-[benzyl(methyl)amino]-1-phenylpropan-1-ol, (1R,2S)-2-(N-Benzylmethylamino)-1-phenyl-1-propanol
IUPAC Name
2-[benzyl(methyl)amino]-1-phenylpropan-1-ol
Canonical SMILES
CC(C(C1=CC=CC=C1)O)N(C)CC2=CC=CC=C2
InChI Key
KLNGFIBGXXNTLD-UHFFFAOYSA-N
Boiling Point
386.3ºC at 760 mmHg
Flash Point
145.6ºC
Density
1.071g/cm³
EC Number
202-020-7
Exact Mass
255.16200
H-Bond Acceptor
2
H-Bond Donor
1
What is the IUPAC name of the compound with PubChem CID 101553?
The IUPAC name is 2-[benzyl(methyl)amino]-1-phenylpropan-1-ol.
What is the molecular formula of the compound with PubChem CID 101553?
The molecular formula is C17H21NO.
What is the molecular weight of the compound with PubChem CID 101553?
The molecular weight is 255.35 g/mol.
What is the InChIKey of the compound with PubChem CID 101553?
The InChIKey is KLNGFIBGXXNTLD-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound with PubChem CID 101553 have?
It has 1 hydrogen bond donor count.
What is the exact mass of the compound with PubChem CID 101553?
The exact mass is 255.162314293 g/mol.
How many rotatable bond counts does the compound with PubChem CID 101553 have?
It has 5 rotatable bond counts.
What is the topological polar surface area of the compound with PubChem CID 101553?
The topological polar surface area is 23.5 Ų.
Does the compound with PubChem CID 101553 have any defined bond stereocenter count?
No, it has 0 defined bond stereocenter count.
Is the compound with PubChem CID 101553 canonicalized?
Yes, the compound is canonicalized.
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CAS
908598-58-3 Purity
96%
908598-58-3 Purity
96%
