Basic information
- CAS
44520-55-0- Standard SMILES
C[C@H](O)[C@@H](N)CO- InChIKey
MUVQIIBPDFTEKM-IMJSIDKUSA-N- Molecular formula
- C4H11NO2
- Average molar mass
- 105.14 g/mol
- Monoisotopic mass
- 105.07897859
Names & identifiers
- Preferred name
- (2S,3S)-2-Amino-1,3-butanediol
- IUPAC
- (2S,3S)-2-aminobutane-1,3-diol
- English name
- d-threoninol
- Molecular formula
- C4H11NO2
- Molecular weight
- 105.14
Names & synonyms
44520-55-0(2S,3S)-2-Amino-1,3-butanediolRefChem:1049996D-Threoninol(2S,3S)-2-aminobutane-1,3-diolMFCD00270215H-D-Thr-olD-Threoninol, 97%1,3-Butanediol, 2-amino-, (2S,3S)-SCHEMBL1620911AKOS016842496CS-W008521
Show more names
D-Threoninol 97%D-THREONINOL HCLD(-)-Threoninol,97%D-THREONINOL USP/EP/BPD-Threoninol extrapure, 98%
D(-)-Threoninol(2S,3S)-2-Amino-butane-1,3-diolAS-38502D-Thr-olMUVQIIBPDFTEKM-IMJSIDKUSA-NFT72885SY034144F045541
Database identifiers
- CAS
44520-55-0- PubChem CID
- 7020320
- EC Number
- 800-497-1
- Nikkaji
- J778.993I
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 49
Physicochemical properties
- Melting point
- 57.5 · 57.5-61.5 °C (lit.)
- Boiling point
- 120 · 120-122 °C (1 mmHg)
- Density
- 1.1043 · 1.1043 (rough estimate)
- refractive index
- 1.417 · 1.4170 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 12.61 · 12.61±0.45(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- 20 · [α]20/D 4.5±0.5°, c = 1 in H2O
- Major Application
- peptide synthesis
- InChI
- 1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m0/s1
- InChIKey
- MUVQIIBPDFTEKM-IMJSIDKUSA-N
- SMILES
- C[C@H](O)[C@@H](N)CO
- CAS DataBase Reference
- 44520 · 44520-55-0(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- wgk
- 3
- hs_code
- 29221985
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Usesd-threoninol is a linker.
Upstream & downstream products
Upstream raw materials
Suppliers80 total
陕西科贝莱药物研发有限公司13119135307 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
13 records
Compound notes
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