Benzeneacetic acid, α-hydroxy-, (αR)-, compd. with (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (1:1)
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Benzeneacetic acid, α-hydroxy-, (αR)-, compd. with (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (1:1)
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CAS No:
79617-97-3
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Formula:
C17H17Cl2N.C8H8O3
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Chemical Name:
Benzeneacetic acid, α-hydroxy-, (αR)-, compd. with (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (1:1)
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Synonyms:
Benzeneacetic acid,α-hydroxy-,(αR)-,compd. with (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (1:1);Benzeneacetic acid,α-hydroxy-,(R)-,compd. with (1S-cis)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (1:1);1-Naphthalenamine,4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-,(1S-cis)-,(R)-α-hydroxybenzeneacetate;1-Naphthalenamine,4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-,(1S,4S)-,(αR)-α-hydroxybenzeneacetate;949116-59-0
- Categories:
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CAS No:
Benzeneacetic acid, α-hydroxy-, (αR)-, compd. with (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (1:1) Basic Attributes
458.3769
457.121
420-560-3
Safety Information
P273, P280, P305+P351+P338, P310, P391, P501
H318
|Danger|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P273, P280, P305+P351+P338, P310, P391, and P501|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P264, P270, P273, P280, P281, P301+P312, P305+P351+P338, P308+P313, P310, P330, P391, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:458.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:457.1211490
Monoisotopic Mass:457.1211490
Topological Polar Surface Area:69.6
Heavy Atom Count:31
Complexity:460
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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