(S)-3-(tert-Butylamino)-1,2-propanediol - CAS 30315-46-9

Catalog:	BB020545
Product Name:	(S)-3-(tert-Butylamino)-1,2-propanediol
CAS:	30315-46-9
Synonyms:	(2S)-3-(tert-butylamino)propane-1,2-diol; (2S)-3-(tert-butylamino)propane-1,2-diol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(2S)-3-(tert-butylamino)propane-1,2-diol
Description:	(S)-3-(tert-Butylamino)-1,2-propanediol (CAS# 30315-46-9) is a chiral building block used for the synthesis of various pharmaceutical compounds.
Molecular Weight:	147.22
Molecular Formula:	C7H17NO2
Canonical SMILES:	CC(C)(C)NCC(CO)O
InChI:	InChI=1S/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3/t6-/m0/s1
InChI Key:	JWBMVCAZXJMSOX-LURJTMIESA-N
Boiling Point:	262.4 °C at 760 mmHg
Density:	0.992 g/cm³
MDL:	MFCD00190165
LogP:	0.11860

Publication Number	Title	Priority Date
US-2021094932-A1	Compounds useful as immunomodulators	20180301
US-10266531-B2	Naphthyridinone derivatives and their use in the treatment of arrhythmia	20161021
US-2018111932-A1	Novel naphthyridinone derivatives and their use in the treatment of arrhythmia	20161021
US-2019263803-A1	Novel naphthyridinone derivatives and their use in the treatment of arrhythmia	20161021
US-10844055-B2	Naphthyridinone derivatives and their use in the treatment of arrhythmia	20161021

PMID	Publication Date	Title	Journal
16167312	20051001	Chiral ligand exchange micellar electrokinetic chromatography using borate anion as a central ion	Electrophoresis

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Related Functional Groups

Alcohols and Derivatives

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	88.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	147.125928785
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	147.125928785
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5