(2S)-2-[Bis(phenylmethyl)amino]-3-methyl-1-butanol
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(2S)-2-[Bis(phenylmethyl)amino]-3-methyl-1-butanol
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CAS No:
111060-54-9
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Formula:
C19H25NO
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Chemical Name:
(2S)-2-[Bis(phenylmethyl)amino]-3-methyl-1-butanol
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Synonyms:
1-Butanol,2-[bis(phenylmethyl)amino]-3-methyl-,(2S)-;1-Butanol,2-[bis(phenylmethyl)amino]-3-methyl-,(S)-;(2S)-2-[Bis(phenylmethyl)amino]-3-methyl-1-butanol;(S)-N,N-Dibenzylvalinol;(S)-2-(N,N-Dibenzylamino)-3-methylbutanol
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CAS No:
Characteristics
23.47000
3.70570
1.0088 g/mL at 25 °C
397.4±22.0 °C(Predicted)
140 °F
n 20/D 1.5459
0mmHg at 25°C
Safety Information
UN 1993 3/PG 3
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H226-H315-H319-H335
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:283.4
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:283.193614421
Monoisotopic Mass:283.193614421
Topological Polar Surface Area:23.5
Heavy Atom Count:21
Complexity:247
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(2S)-2-[Bis(phenylmethyl)amino]-3-methyl-1-butanol
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