cis-4-(Hydroxymethyl)-3-piperidinol hydrochloride
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Basic information
- CAS
955028-05-4- Standard SMILES
Cl.OC[C@H]1CCNC[C@H]1O- InChIKey
BPOSFSLEEORCKE-KGZKBUQUSA-N- Molecular formula
- C6H14ClNO2
- Average molar mass
- 167.63 g/mol
Names & identifiers
- Preferred name
- cis-4-(Hydroxymethyl)-3-piperidinol hydrochloride
- IUPAC
- (3S,4R)-4-(hydroxymethyl)piperidin-3-ol;hydrochloride
- English name
- (3S,4R)-4-(Hydroxymethyl)-3-piperidinol hydrochloride
- Molecular formula
- C6H13NO2.ClH
- Molecular weight
- 167.63
Names & synonyms
(3S,4R)-4-(hydroxymethyl)piperidin-3-ol;hydrochlorideMFCD28024699(3S,4R)-4-(hydroxymethyl)-3-piperidinol hydrochloridecis-4-(Hydroxymethyl)-3-piperidinol hydrochloride(3S,4R)-4-(HYDROXYMETHYL)PIPERIDIN-3-OL HYDROCHLORIDESCHEMBL2922092AT385741825377-78-3F360393(3S,4R)-4-(Hydroxymethyl)-3-piperidinol hydrochloride, AldrichCPRcis-4-(hydroxymethyl)piperidin-3-ol hydrochloride(3r,4s)-4-(hydroxymethyl)piperidin-3-ol hydrochloride
Database identifiers
- CAS
955028-05-4- EC Number
- 110-907-4
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.1
Physicochemical properties
- storage temp.
- Store at Room Tem.
- form
- solid
- InChI
- 1S/C6H13NO2.ClH/c8-4-5-1-2-7-3-6(5)9;/h5-9H,1-4H2;1H/t5-,6-;/m1./s1
- InChIKey
- BPOSFSLEEORCKE-KGZKBUQUSA-N
- SMILES
- O[C@@H]1CNCC[C@@H]1CO.Cl
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 13 · 13 - Non Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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