(2S)-2-aminopentan-1-ol

HCID 6951248CAS 22724-81-8

기본 정보

표준 SMILES: CCC[C@H](N)CO
InChIKey: ULAXUFGARZZKTK-YFKPBYRVSA-N
분자식: C5H13NO
평균 분자량: 103.16 g/mol
단동위원소 질량: 103.09971404

이름 및 식별자

우선 이름: (2S)-2-aminopentan-1-ol
IUPAC: (2S)-2-aminopentan-1-ol
영어명: L-NORVALINOL
분자식: C5H13NO
분자량: 103.16

이름 및 동의어

(2S)-2-aminopentan-1-olRefChem:398387625-468-9(S)-2-Aminopentan-1-ol22724-81-8L-Norvalinol(S)-(+)-2-Amino-1-pentanol(S)-2-amino-1-pentanolMFCD026832291-Pentanol, 2-amino-, (2S)-SCHEMBL1003546DTXSID90426235

이름 더 보기

H-NVA-OLL-NORVALINOL USP/EP/BP(2S)-2-Amino-1-pentanol(2S)-2-AMino-1-pentanol HCl(S)-(+)-2-Amino-1-pentanol 97%

ULAXUFGARZZKTK-YFKPBYRVSA-NCS-M1841AKOS016843136(S)-(+)-2-Amino-1-pentanol, 97%DS-16214SY017944A10468EN300-216034

데이터베이스 식별자

CAS: 22724-81-8
PubChem CID: 6951248
DTXSID: DTXSID90426235
EC Number: 625-468-9
Nikkaji: J231.906C

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 7
형식 전하: 0
복잡도: 39

물리화학적 성질

녹는점: 44 · 44-48 °C (lit.)
끓는 점: 195.6 ℃ · 195.6℃
밀도: 0.915 · 0.915
인화점: 214 °F · 214 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 12.88 · 12.88±0.10(Predicted)
InChI: 1S/C5H13NO/c1-2-3-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
InChIKey: ULAXUFGARZZKTK-YFKPBYRVSA-N
SMILES: CCC[C@H](N)CO

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)；Eye Irrit. 2 (97.6%)；STOT SE 3 (100%)

안전 데이터

wgk: 2
HS 번호: 2922190090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도(S)-(+)-2-Amino-1-pentanol can be used:As a model compound in the study of estimation of dilution enthalpies of (R)-()-2-amino-1-pentanol in DMSO+H2O mixtures using isothermal titration calorimeter.As a substrate to prepare tricyclic heterocyclic compounds as possible antagonists of corticotropin-releasing factor-1.As an intermediate in one of the key synthetic steps for the preparation of an antiviral agent telaprevir.