(2S,3S)-2-Amino-1,3-butanediol
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(2S,3S)-2-Amino-1,3-butanediol
structure -
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CAS No:
44520-55-0
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Formula:
C4H11NO2
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Chemical Name:
(2S,3S)-2-Amino-1,3-butanediol
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Synonyms:
1,3-Butanediol,2-amino-,(2S,3S)-;1,3-Butanediol,2-amino-,[S-(R*,R*)]-;(2S,3S)-2-Amino-1,3-butanediol;D-Threoninol;(2S,3S)-2-Aminobutane-1,3-diol
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CAS No:
Characteristics
66.5
-1.6
Viscous colorless to faint yellow liquid
1.1±0.1 g/cm3
57.5-61.5 °C(lit.)
120-122 °C (1 mmHg)
109.7±21.8 °C
1.488
-20°C
Safety Information
NONH for all modes of transport
3
36/37/38
37/39-26
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:105.14
XLogP3:-1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:105.078978594
Monoisotopic Mass:105.078978594
Topological Polar Surface Area:66.5
Heavy Atom Count:7
Complexity:49
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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CN
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