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Home> Encyclopedia >   /  Antineoplastic Agents  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Pharmaceuticals and Biochemicals  /  Organic Intermediate
N-(Azido-PEG3)-N-Bis-(PEG3-NHS ester) structure
N-(Azido-PEG3)-N-Bis-(PEG3-NHS ester) structure

N-(Azido-PEG3)-N-Bis-(PEG3-NHS ester)

CAS No.:61825-94-3
Molecular Weight:397.28576
1. Names and Identifiers
1.1 Name
N-(Azido-PEG3)-N-Bis-(PEG3-NHS ester)
1.2 CAS No.
61825-94-3
1.3 Inchi
InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2/t5-,6-;;/m1../s1
1.4 InChkey
ZROHGHOFXNOHSO-BNTLRKBRSA-L
1.5 Canonical Smiles
[Pt+2].O=C([O-])C(=O)[O-].N[C@H]1[C@H](N)CCCC1
1.6 Isomers Smiles
O=C1[O-][Pt+2]2([O-]C1=O)[NH2]C3CCCCC3[NH2]2
2. Properties
3.1 Melting point
285-300°C
3.1 PSA
104.64000
3.1 logP
0.61450
3. Safety and Handling
4.1 Symbol
GHS07, GHS08
4.1 Signal Word
Warning
4.1 Risk Statements
R36/37/38;R40;R42/43
4.1 Safety Statements
S26;S36
4.1 Packing Group
II
4.1 Hazard Class
6.1(a)
4.1 Hazard Declaration
H315-H317-H319-H335-H351
4.1 RIDADR
2811
4.1 Caution Statement
P261-P280-P305 + P351 + P338
4.1 WGK Germany
3
4.1 RTECS
TP2275850
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

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

Response

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

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

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

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

P333+P313 If skin irritation or rash 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.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

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

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

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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:397.28576g/mol
  • Molecular Formula:
  • Exact Mass:397.060131
  • Monoisotopic Mass:397.060131
  • Complexity:124
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:132
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
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