CAS 69500-64-7|(2S)-pyrrolidin-2-ylmethanamine|(2s)-Pyrrolidin-2-Ylmethylamine|(S)-pyrrolidin-2-ylmethylamine|(S)-(+)-2-(Aminomethyl)pyrrolidine|(S)-(+)-2-(氨甲基)吡咯烷

Molecular Formula

C₅H₁₂N₂

Molecular Mass

100.16218

Exact Mass

100.10004839

InChI

InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2/t5-/m0/s1

InChIKey

AUKXFNABVHIUAC-YFKPBYRVSA-N

Canonic Smiles

NC[C@@H]1CCCN1

Isomeric Smiles

NC[C@@H]1CCCN1

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-5.5674543

LogD (pH = 7.4)

-3.8617754

Log P

-0.5242977

Molar Refractivity

29.8544

Polarizability

12.272833

Polar Surface Area

38.05

Rotatable Bonds

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-0.69

LOG S

0.63

Solubility (Water)

4.27e+02 g/l

Commercial Catalog

Sigma Aldrich

422886

IUPAC name

(2S)-pyrrolidin-2-ylmethanamine

Synonyms

(2s)-Pyrrolidin-2-Ylmethylamine(S)-(+)-2-(Aminomethyl)pyrrolidine(S)-(+)-2-(氨甲基)吡咯烷

IUPAC Traditional name

(S)-pyrrolidin-2-ylmethylamine

CAS Number

69500-64-7

MDL Number

MFCD00191745

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Signal Word

Warning

German water hazard class

Hazard Class

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

GHS Hazard statements

H226-H315-H319-H335

European Hazard Symbols

Irritant (Xi)

Safety Statements

16-26-36

UN Number

2734

MSDS Link

Download link

RID/ADR

UN 2734 8/PG 2

GHS Precautionary statements

P261-P305+P351+P338

Risk Statements

10-36/37/38

Packing Group

Physical Property

Refractive Index

n20/D 1.482(lit.)

Boiling Point

65 °C/11 mmHg(lit.)

Flash Point

47 °C

116.6 °F

Optical Rotation

[α]20/D +20°, c = 1 in chloroform

Density

0.933 g/mL at 25 °C(lit.)

Product Information

Empirical Formula (Hill Notation)

C5H12N2

Purity

97%

No Data Available

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No Data Available

Click here to submit data

DrugBank

DB03253

Drug information: experimental

Sigma Aldrich

422886

Packaging
1 g in glass bottle
100, 250, 500 mg in glass bottle
Application
Used in the synthesis of compounds with antitumor activity.1

No Data Available

Click here to submit data

Commercial Catalog

Sigma Aldrich

422886

IUPAC name

(2S)-pyrrolidin-2-ylmethanamine

Synonyms

(2s)-Pyrrolidin-2-Ylmethylamine(S)-(+)-2-(Aminomethyl)pyrrolidine(S)-(+)-2-(氨甲基)吡咯烷

IUPAC Traditional name

(S)-pyrrolidin-2-ylmethylamine

CAS Number

69500-64-7

MDL Number

MFCD00191745

Safety Information

Physical Property

Refractive Index

n20/D 1.482(lit.)

Boiling Point

65 °C/11 mmHg(lit.)

Flash Point

47 °C

116.6 °F

Optical Rotation

[α]20/D +20°, c = 1 in chloroform

Density

0.933 g/mL at 25 °C(lit.)

Product Information

Empirical Formula (Hill Notation)

C5H12N2

Purity

97%

DrugBank

DB03253

Drug information: experimental

Sigma Aldrich

422886

Packaging
1 g in glass bottle
100, 250, 500 mg in glass bottle
Application
Used in the synthesis of compounds with antitumor activity.1

No Data Available

Click here to submit data

Molecule

ID:2950