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| CAS No.: | 30315-46-9 |
|---|---|
| Name: | (S)-3-tert-Butylamino-1,2-propanediol |
| Molecular Structure: | |
|
|
|
| Formula: | C7H17NO2 |
| Molecular Weight: | 147.217 |
| Synonyms: | 1,2-Propanediol,3-(tert-butylamino)-, (S)-(-)- (8CI);1,2-Propanediol,3-[(1,1-dimethylethyl)amino]-, (S)-;(S)-1-tert-Butylamino-2,3-propanediol;(S)-3-(tert-Butylamino)-1,2-propanediol;(S)-(+)-3-tert-Butylamino-1,2-propanediol; |
| EINECS: | 250-125-1 |
| Density: | 0.992 g/cm3 |
| Melting Point: | 85-89 °C(lit.) |
| Boiling Point: | 262.4 °C at 760 mmHg |
| Flash Point: | 109.1 °C |
| Appearance: | white flakes or powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 24/25-36-26 |
| PSA: | 52.49000 |
| LogP: | 0.11860 |
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Chemistry
Molecular Structure of (S)-3-tert-Butylamino-1,2-propanediol (CAS NO.30315-46-9):
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IUPAC Name: 3-(tert-:Butylamino)propane-1,2-diol
Molecular Formula: C7H17NO2
Molecular Weight: 147.22
EINECS: 250-125-1
XLogP3-AA: -0.5
H-Bond Donor: 3
H-Bond Acceptor: 3
Index of Refraction: 1.465
Molar Refractivity: 41.06 cm3
Molar Volume: 148.3 cm3
Surface Tension: 36.4 dyne/cm
Density: 0.992 g/cm3
Flash Point: 109.1 °C
Enthalpy of Vaporization: 58.1 kJ/mol
Boiling Point: 262.4 °C at 760 mmHg
Vapour Pressure: 0.00155 mmHg at 25 °C
Melting Point: 85-89 °C(lit.)
alpha: -30 °(c=1,1N HCl)
Appearance: white flakes or powder
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
InChIKey: JWBMVCAZXJMSOX-UHFFFAOYSA-N
Product Categories: Propanes / propenes; (intermediate of timolol maleate); Amino Alcohols; Chiral Building Blocks; Organic Building Blocks
Safety Profile
Safety Information of (S)-3-tert-Butylamino-1,2-propanediol (CAS NO.30315-46-9):
Hazard Codes: 
Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26
S24/25:Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Specification
(S)-3-tert-Butylamino-1,2-propanediol (CAS NO.30315-46-9), its Synonyms are 1,2-Propanediol,3-[(1,1-dimethylethyl)amino]-, (2S)- ; 1,2-Propanediol,3-(tert-butylamino)-, (S)-(-)- (8CI) ; 1,2-Propanediol,3-[(1,1-dimethylethyl)amino]-, (S)- ; (S)-1-tert-Butylamino-2,3-propanediol .