CAS 61278-21-5 3-Amino-1,2-propanediol, (S)- (HCID 440902)

Names & identifiers

Preferred name: 3-Amino-1,2-propanediol, (S)-
IUPAC: (2S)-3-aminopropane-1,2-diol
English name: (S)-3-Amino-1,2-propanediol
Molecular formula: C3H9NO2
Molecular weight: 91.11

Names & synonyms

61278-21-5(S)-3-Amino-1,2-propanediol(2S)-3-aminopropane-1,2-diolKN6JY9P4FB3-Amino-1,2-propanediol, (S)-RefChem:70409GlyTouCan:G29665XCG29665XC629-165-2(S)-3-Aminopropane-1,2-diol(S)-(-)-3-Amino-1,2-propanediolMFCD00798260

Show more names

98%, ee 98%R-3-Amino-1,2-propanol(S)-amino-1,2-propanediol1,2-PROPANEDIOL, 3-AMINO, (S)(S)-(-)-3-Amino-1,2-propandiol*(R)/(S)-3-Amino-1,2-propanediol

1,2-Propanediol, 3-amino-, (2S)-C3H9NO2(2S)-3-amino-1,2-propanediol(S)-(-)-3-AMINO-1,2-PROPANDIOL(2S)-2,3-Dihydroxypropylamine(2S)-3-Amino-1,2-dihydroxypropaneS-Amino-1,2-propanediolSCHEMBL119275

Database identifiers

CAS: 61278-21-5
PubChem CID: 440902
DTXSID: DTXSID001365974
ChEBI: CHEBI:1456
UNII: KN6JY9P4FB
EC Number: 629-165-2
Nikkaji: J1.097.212D

Properties

Computed structural properties

XLogP: -2
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 32

Physicochemical properties

Melting point: 54 · 54-56°C
Boiling point: 117 · 117-119 °C/0.4 mmHg (lit.)
alpha: -12 · -12 º(neat)
Density: 1.175 g/mL · 1.175 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.483(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Liquid To Low Melting Solid
pka: 12.11 · 12.11±0.35(Predicted)
color: Colorless to white
optical activity: 20 · [α]20/D 28±1°, c = 4 in 5 M HCl
Water Solubility: Soluble in water.
Sensitive: Moisture Sensitive
BRN: 1719122 · 1719122
InChI: 1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m0/s1
InChIKey: KQIGMPWTAHJUMN-VKHMYHEASA-N
SMILES: NC[C@H](O)CO
CAS DataBase Reference: 61278 · 61278-21-5(CAS DataBase Reference)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3259 · UN 3259 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-34
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29221990 · 29221990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Safety data

F: 10-34
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3259 8/PG 2
hs_code: 29221990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications

Uses(S)-(-)-3-Amino-1,2-propanediol is used as a chiral selector ligand, used subsequently for a nucleophilic substitution with the dimethoxytrityl (DMT)-protected