CAS 66211-46-9 (2R)-3-aminopropane-1,2-diol (HCID 6994409)

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Basic information

CAS: 66211-46-9
Standard SMILES: NC[C@@H](O)CO
InChIKey: KQIGMPWTAHJUMN-GSVOUGTGSA-N
Molecular formula: C3H9NO2
Average molar mass: 91.11 g/mol

Names & identifiers

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

Names & synonyms

(2R)-3-aminopropane-1,2-diolRefChem:397337629-329-366211-46-9(R)-3-Amino-1,2-propanediol(R)-3-aminopropane-1,2-diol(R)-(+)-3-Amino-1,2-propandiol(r)-(+)-3-amino-1,2-propanediol(R)-(+)-Amino-1,2-propanediolMFCD00798261(2R)-3-amino-1,2-propanediol3-amino-(2R)-1,2-propanediol

Show more names

(2S)-3-AMINOPROPANE-1,2-DIOL(R)-3-AMino-11,2-PROPANEDIOL, 3-AMINO, (S)1,2-PROPANEDIOL, 3-AMINO, (R)

1,2-Propanediol, 3-amino-, (2R)-((R)-2,3-Dihydroxypropyl)amine(R)-2,3-Dihydroxypropan-1-amineAKOS005259374AKOS006339503AC-7033(R)-(+)-3-amino-1, 2-propanediolEN300-92384

Database identifiers

CAS: 66211-46-9
PubChem CID: 6994409
UNII: G55KGT2FZZ
EC Number: 629-329-3
Nikkaji: J72.437H

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 °C0.4 mm Hg(lit.)
alpha: 9 ° · +9°(20/D)(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
solubility: soluble in Methanol
form: powder to crystal
pka: 12.11 · 12.11±0.35(Predicted)
color: White to Orange to Green
Specific Gravity: 1.175 · 1.175
optical activity: 20 · [α]20/D +28±1°, c = 4% in 5 M HCl
BRN: 4290608 · 4290608
InChI: 1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m1/s1
InChIKey: KQIGMPWTAHJUMN-GSVOUGTGSA-N

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

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: 34-22
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: Ⅱ
Hazard statements: H302-H314
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
Precautionary statements: P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses(R)-3-amino-1,2-propanediol can be used as a reactant in the synthesis of lipid-like delivery molecules (lipids) for RNA interference (RNAi) therapy.