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Home> Encyclopedia >   /  Syntheses Material Intermediates  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical  /  Other Inorganic Salts
T6836773 structure
T6836773 structure

T6836773

Iupac Name:hydroxylamine;hydrochloride
CAS No.:5470-11-1
Molecular Weight:69.488
1. Names and Identifiers
1.1 Name
T6836773
1.2 Synonyms

3-cyclopropyl-n-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]butanamide MCULE-5446602718 MOLPORT-009-582-145 Z966619450

1.3 CAS No.
5470-11-1
1.4 CID
443297
1.5 Molecular Formula
C17H21ClN2O3 (isomer)
1.6 Inchi
InChI=1S/ClH.H3NO/c;1-2/h1H;2H,1H2
1.7 InChkey
WTDHULULXKLSOZ-UHFFFAOYSA-N
1.8 Canonical Smiles
NO.Cl
1.9 Isomers Smiles
NO.Cl
2. Properties
3.1 Melting point
155-158℃
3.1 Vapour pressure
0.054 Pa (50 °C)
3.1 Precise Quality
68.99810
3.1 PSA
46.25000
3.1 logP
0.83660
3. Safety and Handling
4.1 Symbol
GHS05;GHS07;GHS08;GHS09;
4.1 Signal Word
Warning
4.1 Risk Statements
R22;R36/38;R43;R48/22;R50
4.1 Safety Statements
S22;S24;S37;S61
4.1 Packing Group
III
4.1 Hazard Class
8
4.1 Hazard Declaration
H290; H302 + H312; H315; H317; H319; H351; H373; H410
4.1 RIDADR
UN 2923
4.1 Caution Statement
P273-P280-P305 + P351 + P338-P501
4.1 WGK Germany
3
4.1 RTECS
NC3675000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Skin sensitization, Category 1

Carcinogenicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H290 May be corrosive to metals

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H317 May cause an allergic skin reaction

H351 Suspected of causing cancer

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P234 Keep only in original packaging.

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P390 Absorb spillage to prevent material damage.

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P332+P313 If skin irritation occurs: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P406 Store in a corrosion resistant/...container with a resistant inner liner.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:69.488g/mol
  • Molecular Formula:C17H21ClN2O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:68.9981414
  • Monoisotopic Mass:68.9981414
  • Complexity:2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:46.2
  • Heavy Atom Count:3
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
6. Question & Answer
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