Basic information
- CAS
66068-76-6- Standard SMILES
C[C@@H](N)P(=O)(O)O- InChIKey
UIQSKEDQPSEGAU-REOHCLBHSA-N- Molecular formula
- C2H8NO3P
- Average molar mass
- 125.06 g/mol
- Monoisotopic mass
- 125.02418011
Overview
(S)-(1-aminoethyl)phosphonic acid is a primary amino compound that is phosphonic acid having a 1-aminoethyl group attached to the phosphorus. It is a member of phosphonic acids and a primary amino compound. It is functionally related to a phosphonic acid. It is a conjugate acid of a (S)-(1-aminoethyl)phosphonate. It is an enantiomer of a (R)-(1-aminoethyl)phosphonic acid.
Names & identifiers
- Preferred name
- (S)-(1-aminoethyl)phosphonic acid
- IUPAC
- [(1S)-1-aminoethyl]phosphonic acid
- English name
- (S)-(+)-(1-AMINOETHYL)PHOSPHONIC ACID
- Molecular formula
- C2H8NO3P
- Molecular weight
- 125.06
Names & synonyms
66068-76-6(s)-1-aminoethylphosphonic acid[(1S)-1-aminoethyl]phosphonic acid(S)-(1-Aminoethyl)phosphonic acid(S)-1-aminoethanephosphonic acid1-Aminoethylphosphonic acid, (S)-YV7Y1B14APCHEBI:136675(S)-(+)-(1-aminoethyl)phosphonic acidPhosphonic acid, (1-aminoethyl)-, (S)-J282.316KDTXSID001299163
Show more names
D-ALA(P)H-ALAP-(OH)2H-S-ALA(P)-OHH-AETPO-(OH)2(1S)-1-PHOSPHONO-1-ETHANAMINE(S)-(+)-1-PHOSPHONOETHYLAMINE(S)-(-)-1-PHOSPHONOETHYLAMINEL-1-AMINO-ETHYLPHOSPHONIC ACIDD(+)-1-AMINOETHYLPHOSPHONIC ACID
PHOSPHONIC ACID, ((1S)-1-AMINOETHYL)-PHOSPHONIC ACID, P-((1S)-1-AMINOETHYL)-((1S)-1-aminoethyl)phosphonic acidRefChem:407729DTXCID901729313623-468-3UNII-YV7Y1B14APCHEMBL57466
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -4.3
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Melting point
- 290 °C · 290 °C (dec.) (lit.)
- form
- solid
- optical activity
- 20 · [α]20/D +4.8°, c = 5 in H2O
- BRN
- 4291033 · 4291033
- InChI
- 1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m0/s1
- InChIKey
- UIQSKEDQPSEGAU-REOHCLBHSA-N
- SMILES
- C[C@@H](N)P(O)(O)=O
- FDA UNII
- 7 Y1B14AP · YV7Y1B14AP
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
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]
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)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers7 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: (S)-(1-aminoethyl)phosphonic acid is a primary amino compound that is phosphonic acid having a 1-aminoethyl group attached to the phosphorus. It is a member of phosphonic acids and a primary amino compound. It is functionally related to a phosphonic acid. It is a conjugate acid of a (S)-(1-aminoethyl)phosphonate. It is an enantiomer of a (R)-(1-aminoethyl)phosphonic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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