Basic information
- CAS
534-03-2- Standard SMILES
NC(CO)CO- InChIKey
KJJPLEZQSCZCKE-UHFFFAOYSA-N- Molecular formula
- C3H9NO2
- Average molar mass
- 91.11 g/mol
- Monoisotopic mass
- 91.06332853
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- Serinol
- IUPAC
- 2-aminopropane-1,3-diol
- English name
- 2-Amino-1,3-propanediol
- Molecular formula
- C3H9NO2
- Molecular weight
- 91.11
Names & synonyms
2-Amino-1,3-propanediol534-03-2Serinol2-Aminopropane-1,3-diol1,3-Propanediol, 2-amino-IC94L30J8MNSC-93746DTXSID2060202RefChem:182519DTXCID7041419208-584-02-Amino-1,3-propandiol
Show more names
Ser-OLSerinol 98%Seryl AlcoholSerine alcoholS8002Dl-Serinol2-Aminoglycerol2-Amino-1,3-propaned
MFCD000514872-Amino-1,3-dihydroxypropaneDL-SERINOLL-SERINOL2-aminopropan-1,3-diolSELEINECS 208-584-0UNII-IC94L30J8M
Database identifiers
- CAS
534-03-2- PubChem CID
- 68294
- DTXSID
DTXSID2060202- ChEMBL
CHEMBL116834- UNII
- IC94L30J8M
- EC Number
- 208-584-0
- Nikkaji
- J138.283G
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 28
Physicochemical properties
- Melting point
- 52 · 52-55 °C (lit.)
- Boiling point
- 277 °C · 277 °C (lit.)
- Density
- 1.1278 · 1.1278 (rough estimate)
- vapor pressure
- 0.01 Pa · 0.01Pa at 25℃
- refractive index
- 1.4698 · 1.4698 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Soluble, Sonicated), Methanol (Slightly, Sonicated), Water (Slightly)
- pka
- 12.24 · 12.24±0.10(Predicted)
- form
- Adhering Crystalline Powder
- color
- White to off-white
- Water Solubility
- Soluble in water and alcohol.
- Sensitive
- Hygroscopic
- BRN
- 635683 · 635683
- Stability
- Hygroscopic
- InChIKey
- KJJPLEZQSCZCKE-UHFFFAOYSA-N
- LogP
- -1.82 at · -1.82 at 20℃
- CAS DataBase Reference
- 534 · 534-03-2(CAS DataBase Reference)
- FDA UNII
- 94 L30J8M · IC94L30J8M
- NIST Chemistry Reference
- 2 · 2-Amino-1,3-propanediol(534-03-2)
- EPA Substance Registry System
- 1 · 1,3-Propanediol, 2-amino- (534-03-2)
- UNSPSC Code
- 12352100 · 12352100
- 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
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 3263 · UN 3263 8/PG 2
- WGK Germany
- 1 · 1
- F
- 3 · 3-10-34
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29221990 · 29221990
- REACH Registrations
- Active
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (48.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 122 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 22-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10161
Hazard Classes and CategoriesSkin Corr. 1C (48.4%)
Safety data
- F
- 3-10-34
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3263 8/PG 2
- hs_code
- 29221990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediol, 2-amino-: ACTIVE
Applications
Description2-Amino-1,3-propanediol (2-APD, also known as serinol) is a high-value-added chemical that is used as a building block for the synthesis of a variety of compounds, including drugs to treat type 2 diabetes mellitus, the antibiotic chloramphenicol, immune multiple sclerosis, and a new generation of nonionic X-ray contrast agents.
Uses2-Amino-1,3-propanediol is used as an intermediate in several chemical applications and also useful for serinol and some of its derivatives.
UsesSerinol may be used to prepare the artificial nucleic acids. It may be used in the synthesis of N-acylated serinol and C16-serinol affinity gel.
General DescriptionSerinol activates toxin production in the attenuated cultures of Helminthosporium sacchari. Preparation of polyesters derived from serinol is reported.
Preparation methods
PreparationAdd 20% 2-nitro-1,3-propanediol methanol solution (1250 g) to 5% palladium/carbon 3.5 g. Hydrogen (70 L, pressure 3MPa) was continuously introduced and reacted at 75°C for 5 hours to obtain serine alcohol solution. The serine alcohol solution is pumped into a high vacuum distillation vessel, vacuumed to 40 pa, and methanol is distilled for reuse. Yield = 97.2%.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
362 records
Compound notes
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