3D Mol Similar

Z-PRO-NH2

Iupac Name：benzyl (2S)-2-carbamoylpyrrolidine-1-carboxylate

CAS No.: 34079-31-7

Molecular Weight：248.282

Modify Date.: 2022-10-27 19:16

Introduction: White crystals View more+

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1. Names and Identifiers

1.1 Name: Z-PRO-NH2
1.2 Synonyms: (S)-1-N-CBZ-PROLINAMIDE (S)-2-CARBAMOYL-1-CBZ-PYRROLIDINE (S)-2-CARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER (S)-Benzyl 2-carbamoylpyrrolidine-1-carboxylate 1-Cbz-prolinamide 1-Pyrrolidinecarboxylic acid, 2-(aminocarbonyl)-, phenylmethyl ester, (2S)- Benzyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate benzyl (2S)-2-carbamoylpyrrolidine-1-carboxylate Benzyloxycarbonyl-L-prolinamide Benzyloxycarbonyl-L-prolineamide Carbobenzyloxy-L-prolinamide cbz-l-prolinamide Cbz-L-proline amide Cbz-L-Pro-NH2 CBZ-PRO-NH2 MFCD00020830 N-ALPHA-CARBOBENZOXY-L-PROLINE AMIDE N-ALPHA-CARBOBENZOXY-L-PYRROLIDINE-2-CARBOXYLIC ACID ALPHA-AMIDE N-Benzyloxycarbonyl-L-prolinamide N-Carbobenzoxy-L-prolinamide N-CARBOBENZOXY-L-PROLINE AMIDE N-Cbz-L-prolinamide Z-L-PROLINAMIDE Z-L-PROLINE AMIDE Z-Pro-NH2

1.3 CAS No.: 34079-31-7

1.4 CID: 6950961

1.5 EINECS(EC#): 231-397-0

1.6 Molecular Formula: C13H16N2O3 (isomer)

1.7 Inchi: InChI=1S/C13H16N2O3/c14-12(16)11-7-4-8-15(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,14,16)/t11-/m0/s1

1.8 InChkey: ZCGHEBMEQXMRQL-NSHDSACASA-N

1.9 Canonical Smiles: C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N

1.10 Isomers Smiles: C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N

2. Properties

2.1 Density: 1.263

2.1 Melting point: 90.0 to 94.0 deg-C

2.1 Boiling point: 465.6°Cat760mmHg

2.1 Refractive index: 1.581

2.1 Flash Point: 235.4°C

2.1 Precise Quality: 248.11600

2.1 PSA: 72.63000

2.1 logP: 1.91110

2.1 Appearance: White to Almost white powder to crystal

2.2 Storage: Keep Cold.

2.3 Chemical Properties: White crystals Z-PRO-NH2Supplier

2.4 Color/Form: Solid

2.5 pKa: 15.95±0.20(Predicted)

2.6 StorageTemp: Store at RT.

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: 22-36/37/38

3.1 WGK Germany: 3

3.1 Specification: The extinguishing agent of Z-Pro-NH2 (CAS NO.34079-31-7) are dry powder, foam, sand, carbon dioxide, water mist.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	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. P271 Use only outdoors or in a well-ventilated area.
Response	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/... 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. 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.
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

View all

5. Synthesis Route

34079-31-7Total: 10 Synthesis Route

501-53-1 152 Suppliers

34079-31-7 105 Suppliers

Literatures:
European Journal of Organic Chemistry, , # 20 p. 4287 - 4295
Yield: null

147-85-3 624 Suppliers

34079-31-7 105 Suppliers

Literatures:
European Journal of Organic Chemistry, , # 20 p. 4287 - 4295
Yield: null

1148-11-4 230 Suppliers

34079-31-7 105 Suppliers

Literatures:
Organic and Biomolecular Chemistry, , vol. 3, # 1 p. 84 - 96
Yield: ~97%

View all

6. Precursor and Product

precursor:

147-85-3

501-53-1

61350-60-5

7531-52-4

124980-30-9

1148-11-4

3304-59-4

14030-00-3

60433-33-2

2766-18-9

product :

69500-64-7

119020-03-0

7531-52-4

63808-36-6

33878-70-5

6398-06-7

7. Computational chemical data

Molecular Weight: 248.282g/mol
Molecular Formula: C₁₃H₁₆N₂O₃
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 248.11609238
Monoisotopic Mass: 248.11609238
Complexity: 313
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 72.6
Heavy Atom Count: 18
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAADCjhmAYwCINABACIAiFSGAACAAAgAAAIiAGICIgIZjKAsTicMAAk1gGIqAeYwSAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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